Xiao Cheng Zeng

Q: What Schools Are Affiliated With Xiao Cheng Zeng

Xiao Cheng Zeng is affiliated with the following schools: Peking University, Beijing University of Chemical Technology, Brown University, University of California, Berkeley, University at Buffalo, University of Science and Technology of China, Washington State University, City University of Hong Kong, Nanjing University, Keio University, Sichuan University, University of Nebraska–Lincoln

Xiao Cheng Zeng's AcademicInfluence.com Rankings

Xiao Cheng Zeng

Chemistry

#1206

World Rank

#1875

Historical Rank

Computational Chemistry

World Rank

Historical Rank

chemistry Degrees

Xiao Cheng Zeng

Physics

#2539

World Rank

#3737

Historical Rank

physics Degrees

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Chemistry
Physics

Xiao Cheng Zeng's Degrees

PhD Chemistry University of California, Berkeley
Masters Chemistry University of California, Berkeley
Bachelors Chemistry Peking University

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Xiao Cheng Zeng's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Defect passivation in hybrid perovskite solar cells using quaternary ammonium halide anions and cations (2017) (1324)
Formation of ordered ice nanotubes inside carbon nanotubes (2001) (888)
A universal principle for a rational design of single-atom electrocatalysts (2018) (858)
Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells. (2014) (706)
Two-dimensional boron monolayer sheets. (2012) (581)
A droplet-based electricity generator with high instantaneous power density (2020) (545)
High‐Gain and Low‐Driving‐Voltage Photodetectors Based on Organolead Triiodide Perovskites (2015) (528)
Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers (2014) (482)
π‐Conjugated Lewis Base: Efficient Trap‐Passivation and Charge‐Extraction for Hybrid Perovskite Solar Cells (2017) (438)
Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes. (2005) (418)
Tailoring Passivation Molecular Structures for Extremely Small Open-Circuit Voltage Loss in Perovskite Solar Cells. (2019) (406)
Simultaneously Dual Modification of Ni‐Rich Layered Oxide Cathode for High‐Energy Lithium‐Ion Batteries (2019) (393)
Intrinsic Ferroelasticity and/or Multiferroicity in Two-Dimensional Phosphorene and Phosphorene Analogues. (2016) (393)
Strain-dependent electronic and magnetic properties of MoS2 monolayer, bilayer, nanoribbons and nanotubes. (2012) (386)
Coexistence and transition between Cassie and Wenzel state on pillared hydrophobic surface (2009) (381)
Highly stable and efficient all-inorganic lead-free perovskite solar cells with native-oxide passivation (2019) (372)
Evidence of hollow golden cages. (2006) (316)
Cesium Titanium(IV) Bromide Thin Films Based Stable Lead-free Perovskite Solar Cells (2018) (303)
Metallic Nickel Hydroxide Nanosheets Give Superior Electrocatalytic Oxidation of Urea for Fuel Cells. (2016) (291)
Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting. (2017) (286)
First-order transition in confined water between high-density liquid and low-density amorphous phases (2000) (266)
Nine new phosphorene polymorphs with non-honeycomb structures: a much extended family. (2015) (251)
Adsorption of O2, H2, CO, NH3, and NO2 on ZnO Nanotube: A Density Functional Theory Study (2008) (248)
Gas–liquid nucleation in Lennard‐Jones fluids (1991) (244)
Structural prediction of thiolate-protected Au38: a face-fused bi-icosahedral Au core. (2008) (242)
Titanium trisulfide monolayer: theoretical prediction of a new direct-gap semiconductor with high and anisotropic carrier mobility. (2015) (241)
Earth-Abundant Nontoxic Titanium(IV)-based Vacancy-Ordered Double Perovskite Halides with Tunable 1.0 to 1.8 eV Bandgaps for Photovoltaic Applications (2018) (235)
Markedly Enhanced Oxygen Reduction Activity of Single-Atom Fe Catalysts via Integration with Fe Nanoclusters. (2019) (226)
Free-Standing Two-Dimensional Ru Nanosheets with High Activity toward Water Splitting (2016) (225)
Wetting and interfacial properties of water nanodroplets in contact with graphene and monolayer boron-nitride sheets. (2012) (213)
Investigating the structural evolution of thiolate protected gold clusters from first-principles. (2012) (207)
Tuning electronic and magnetic properties of early transition-metal dichalcogenides via tensile strain (2014) (199)
Heterojunction‐Depleted Lead‐Free Perovskite Solar Cells with Coarse‐Grained B‐γ‐CsSnI3 Thin Films (2016) (198)
Semimetallic molybdenum disulfide ultrathin nanosheets as an efficient electrocatalyst for hydrogen evolution. (2014) (198)
On the phase diagram of water with density functional theory potentials: The melting temperature of ice I(h) with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals. (2009) (198)
Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational Study (2015) (197)
MoS2/MX2 heterobilayers: bandgap engineering via tensile strain or external electrical field. (2013) (195)
Mechanistic Origin of the High Performance of Yolk@Shell Bi2S3@N-Doped Carbon Nanowire Electrodes. (2018) (186)
A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O2 Activation (2014) (181)
Suppressed Ion Migration along the In-Plane Direction in Layered Perovskites (2018) (180)
Multiwalled ice helixes and ice nanotubes (2006) (172)
Tunable Magnetism in a Nonmetal-Substituted ZnO Monolayer: A First-Principles Study (2012) (170)
Freezing of Confined Water: A Bilayer Ice Phase in Hydrophobic Nanopores (1997) (167)
CO self-promoting oxidation on nanosized gold clusters: triangular Au3 active site and CO induced O-O scission. (2013) (165)
Toward Eco-friendly and Stable Perovskite Materials for Photovoltaics (2018) (162)
Bismuth Oxychalcogenides: A New Class of Ferroelectric/Ferroelastic Materials with Ultra High Mobility. (2017) (161)
Chemical functionalization of boron-nitride nanotubes with NH3 and amino functional groups. (2006) (158)
Catalytic activities of subnanometer gold clusters (Au₁₆-Au₁₈, Au₂₀, and Au₂₇-Au₃₅) for CO oxidation. (2011) (156)
Mechanistic Study of the Persistent Luminescence of CaAl2O4:Eu,Nd (2015) (156)
Self-assembling subnanometer pores with unusual mass-transport properties (2012) (153)
Long-Range Ordered Carbon Clusters: A Crystalline Material with Amorphous Building Blocks (2012) (151)
Intrinsic electronic and transport properties of graphyne sheets and nanoribbons. (2013) (150)
Lead-Free Mixed Tin and Germanium Perovskites for Photovoltaic Application. (2017) (146)
CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field (2015) (145)
Continuous Grain-Boundary Functionalization for High-Efficiency Perovskite Solar Cells with Exceptional Stability (2018) (141)
Measurement of contact-angle hysteresis for droplets on nanopillared surface and in the Cassie and Wenzel states: a molecular dynamics simulation study. (2011) (139)
High-Level Ab Initio Electronic Structure Calculations of Water Clusters (H2O)16 and (H2O)17: A New Global Minimum for (H2O)16 (2010) (136)
Thiolate-protected Au20(SR)16 cluster: prolate Au8 core with new [Au3(SR)4] staple motif. (2009) (135)
Structures and stabilities of small silicon clusters: Ab initio molecular-orbital calculations of Si7–Si11 (2003) (135)
B2C graphene, nanotubes, and nanoribbons. (2009) (133)
A new class of folding oligomers: Crescent oligoamides [4] (2000) (133)
Unraveling the mechanisms of O2 activation by size-selected gold clusters: transition from superoxo to peroxo chemisorption. (2012) (130)
Half-metallicity in hybrid BCN nanoribbons. (2008) (126)
Detection of novel gaseous states at the highly oriented pyrolytic graphite-water interface. (2006) (125)
Band-gap engineering via tailored line defects in boron-nitride nanoribbons, sheets, and nanotubes. (2012) (119)
A metal-free multicomponent cascade reaction for the regiospecific synthesis of 1,5-disubstituted 1,2,3-triazoles. (2013) (119)
Gold-caged metal clusters with large HOMO-LUMO gap and high electron affinity. (2005) (118)
Expanded biomass-derived hard carbon with ultra-stable performance in sodium-ion batteries (2018) (118)
Planar pentacoordinate carbon in CAl5(+): a global minimum. (2008) (118)
Metallic single-walled silicon nanotubes. (2004) (117)
Structures and relative stability of neutral gold clusters: Aun (n=15-19). (2006) (116)
Interlocked catenane-like structure predicted in Au24(SR)20: implication to structural evolution of thiolated gold clusters from homoleptic gold(I) thiolates to core-stacked nanoparticles. (2012) (114)
A Near-Infrared-Emissive Alkynyl-Protected Au24 Nanocluster. (2015) (113)
Probing the structural evolution of medium-sized gold clusters: Au(n)(-) (n = 27-35). (2010) (112)
Controlling Catalytic Properties of Pd Nanoclusters through Their Chemical Environment at the Atomic Level Using Isoreticular Metal-Organic Frameworks (2016) (112)
Type-I van der Waals heterostructure formed by MoS2 and ReS2 monolayers. (2017) (111)
A grand unified model for liganded gold clusters (2016) (111)
Endohedral Silicon Fullerenes SiN (27 ≤ N ≤ 39) (2004) (111)
CO oxidation on TiO(2) (110) supported subnanometer gold clusters: size and shape effects. (2013) (110)
Validity of Tolman's equation: How large should a droplet be? (1998) (110)
Icosahedral crown gold nanocluster au(43)cu(12) with high catalytic activity. (2010) (109)
Tunable Optical Properties and Charge Separation in CH3NH3Sn(x)Pb(1-x)I3/TiO2-Based Planar Perovskites Cells. (2015) (108)
CO oxidation catalyzed by single-walled helical gold nanotube. (2008) (107)
Thermal conductivity of a two-dimensional phosphorene sheet: a comparative study with graphene. (2015) (107)
Adsorption and Surface Reactivity on Single-Walled Boron Nitride Nanotubes Containing Stone−Wales Defects (2007) (106)
Efficient kinetic macrocyclization. (2009) (106)
Periodic graphene nanobuds. (2009) (105)
Perovskite Chalcogenides with Optimal Bandgap and Desired Optical Absorption for Photovoltaic Devices (2017) (104)
Polymorphism and polyamorphism in bilayer water confined to slit nanopore under high pressure (2012) (103)
Structures and stability of medium silicon clusters. II. Ab initio molecular orbital calculations of Si12-Si20. (2004) (102)
Doping golden buckyballs:Cu@Au16- and Cu@Au17- cluster anions. (2007) (101)
Uniform nitrogen and sulfur co-doped carbon nanospheres as catalysts for the oxygen reduction reaction (2014) (101)
Structural transition of gold nanoclusters: from the golden cage to the golden pyramid. (2009) (100)
Honeycomb-like Hard Carbon Derived from Pine Pollen as High-Performance Anode Material for Sodium-Ion Batteries. (2018) (99)
Creating nanocavities of tunable sizes: Hollow helices (2002) (99)
Self-Assembly and Properties of NonmetalatedTetraphenyl-Porphyrin on Metal Substrates (2010) (99)
Adsorption of hydrogen molecules on the platinum-doped boron nitride nanotubes. (2006) (98)
Group IVB transition metal trichalcogenides: a new class of 2D layered materials beyond graphene (2016) (96)
Adsorption of transition-metal atoms on boron nitride nanotube: a density-functional study. (2006) (96)
Distinct ice patterns on solid surfaces with various wettabilities (2017) (96)
Transition-Metal Dihydride Monolayers: A New Family of Two-Dimensional Ferromagnetic Materials with Intrinsic Room-Temperature Half-Metallicity. (2018) (96)
Hydrogen Storage in Pillared Li-Dispersed Boron Carbide Nanotubes (2007) (95)
Half-Metallicity in Hybrid Graphene/Boron Nitride Nanoribbons with Dihydrogenated Edges (2011) (94)
Reversing Interfacial Catalysis of Ambipolar WSe2 Single Crystal (2019) (94)
Exploration of Half Metallicity in Edge-Modified Graphene Nanoribbons (2010) (94)
Magic-number gold nanoclusters with diameters from 1 to 3.5 nm: relative stability and catalytic activity for CO oxidation. (2015) (93)
Atomic imaging of the edge structure and growth of a two-dimensional hexagonal ice (2020) (93)
Au42: an alternative icosahedral golden fullerene cage. (2005) (92)
Relative stability of planar versus double-ring tubular isomers of neutral and anionic boron cluster B20 and B20-. (2006) (92)
First-principles study of methane dehydrogenation on a bimetallic Cu/Ni(111) surface. (2009) (91)
Motif transition in growth patterns of small to medium-sized silicon clusters. (2005) (91)
van der Waals trilayers and superlattices: modification of electronic structures of MoS2 by intercalation. (2014) (90)
Materials design of half-metallic graphene and graphene nanoribbons (2009) (88)
The Tolman length: is it positive or negative? (2005) (88)
CaP3: A New Two-Dimensional Functional Material with Desirable Band Gap and Ultrahigh Carrier Mobility. (2018) (87)
Highly confined water: two-dimensional ice, amorphous ice, and clathrate hydrates. (2014) (87)
The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water (2000) (86)
Icosahedral B12-containing core-shell structures of B80. (2010) (86)
Thermal Conductivity of Monolayer MoSe2 and MoS2 (2016) (85)
Ideal Desalination through Graphyne-4 Membrane: Nanopores for Quantized Water Transport (2013) (85)
Strong aggregation and directional assembly of aromatic oligoamide macrocycles. (2011) (84)
Oxidation of a two-dimensional hexagonal boron nitride monolayer: a first-principles study. (2012) (84)
Compression Limit of Two-Dimensional Water Constrained in Graphene Nanocapillaries. (2015) (84)
Transition from one-dimensional water to ferroelectric ice within a supramolecular architecture (2011) (83)
Quantized Water Transport: Ideal Desalination through Graphyne-4 Membrane (2013) (83)
Structural evolution of doped gold clusters: MAu(x)(-) (M = Si, Ge, Sn; x = 5-8). (2009) (81)
Ferroelectricity in Covalently functionalized Two-dimensional Materials: Integration of High-mobility Semiconductors and Nonvolatile Memory. (2016) (81)
Guest-free monolayer clathrate and its coexistence with two-dimensional high-density ice (2010) (81)
Probing the planar tetra-, penta-, and hexacoordinate carbon in carbon-boron mixed clusters. (2008) (80)
AlxC Monolayer Sheets: Two-Dimensional Networks with Planar Tetracoordinate Carbon and Potential Applications as Donor Materials in Solar Cell. (2014) (80)
Self-assembly of surfactants and polymorphic transition in nanotubes. (2008) (79)
Magnetic doping of the golden cage cluster M @Au 16 − ( M =Fe,Co,Ni) (2009) (79)
Structural Transitions from Pyramidal to Fused Planar to Tubular to Core/Shell Compact in Gold Clusters: Aun- (n = 21−25) (2007) (79)
Binary homogeneous nucleation theory for the gas–liquid transition: A nonclassical approach (1991) (79)
Doping the golden cage Au16(-) with Si, Ge, and Sn. (2007) (79)
Thin-Film Transformation of NH4 PbI3 to CH3 NH3 PbI3 Perovskite: A Methylamine-Induced Conversion-Healing Process. (2016) (79)
Isomer identification and resolution in small gold clusters. (2010) (78)
Fabrication and understanding of Cu3Si-Si@carbon@graphene nanocomposites as high-performance anodes for lithium-ion batteries. (2018) (78)
Silver-catalyzed decarboxylative acylation of quinoxalin-2(1H)-ones with α-oxo-carboxylic acids. (2017) (78)
Metal-organic Kagome lattices M3(2,3,6,7,10,11-hexaiminotriphenylene)2 (M = Ni and Cu): from semiconducting to metallic by metal substitution. (2015) (78)
Application of Electronic Counting Rules for Ligand-Protected Gold Nanoclusters. (2018) (77)
A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate s-III (2016) (77)
SLIPS-TENG: robust triboelectric nanogenerator with optical and charge transparency using a slippery interface (2019) (74)
Hydroxyl-decorated graphene systems as candidates for organic metal-free ferroelectrics, multiferroics, and high-performance proton battery cathode materials (2013) (73)
The melting lines of model silicon calculated from coexisting solid-liquid phases. (2004) (73)
Observation of earlier two-to-three dimensional structural transition in gold cluster anions by isoelectronic substitution: MAu(n)(-) (n=8-11; M=Ag,Cu). (2010) (73)
Insight into Chemistry on Cloud/Aerosol Water Surfaces. (2018) (72)
How does water freeze inside carbon nanotubes (2002) (72)
Unusual Metallic Microporous Boron Nitride Networks (2013) (72)
Two‐Dimensional Single‐Layer Organic–Inorganic Hybrid Perovskite Semiconductors (2017) (71)
Investigating active site of gold nanoparticle Au55(PPh3)12Cl6 in selective oxidation. (2010) (71)
Structures and relative stability of medium-sized silicon clusters. IV. Motif-based low-lying clusters Si21-Si30. (2006) (71)
Nanoscale hydrophobic interaction and nanobubble nucleation. (2004) (71)
Near-Barrierless Ammonium Bisulfate Formation via a Loop-Structure Promoted Proton-Transfer Mechanism on the Surface of Water. (2016) (71)
Fluorinating hexagonal boron nitride into diamond-like nanofilms with tunable band gap and ferromagnetism. (2011) (70)
Ab initio calculation of bowl, cage, and ring isomers of C20 and C20-. (2005) (70)
Ice nanotube: What does the unit cell look like? (2000) (70)
Thermal stability of nanostructurally stabilized zirconium oxide (2007) (69)
Planar tetracoordinate carbon strips in edge decorated graphene nanoribbon. (2010) (69)
A global search of highly stable gold-covered bimetallic clusters M@Au(n) (n=8-17): endohedral gold clusters. (2006) (69)
Lead-Free Dion–Jacobson Tin Halide Perovskites for Photovoltaics (2018) (68)
Stable Formamidinium‐Based Perovskite Solar Cells via In Situ Grain Encapsulation (2018) (68)
Stable three-center hydrogen bonding in a partially rigidified structure. (2001) (68)
Porous Boron Nitride with Tunable Pore Size. (2014) (68)
Monolayer and bilayer polyaniline C3N: two-dimensional semiconductors with high thermal conductivity. (2018) (68)
Lowest-energy structures of water clusters (H2O)11 and (H2O)13. (2006) (67)
Argon Plasma Treatment to Tune Perovskite Surface Composition for High Efficiency Solar Cells and Fast Photodetectors (2018) (67)
Electron-Transport Properties of Few-Layer Black Phosphorus. (2015) (67)
Characterizing hydrophobicity of amino acid side chains in a protein environment via measuring contact angle of a water nanodroplet on planar peptide network (2016) (67)
Numerical study of transport properties in continuum percolation (1988) (66)
Edge-decorated graphene nanoribbons by scandium as hydrogen storage media. (2012) (66)
Aromatic oligoureas: enforced folding and assisted cyclization. (2006) (66)
Ab initio study of thiolate-protected Au102 nanocluster. (2008) (66)
Melting points and thermal expansivities of proton-disordered hexagonal ice with several model potentials. (2004) (66)
Self-Catalytic Reaction of SO3 and NH3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation. (2018) (66)
Formation free energy of clusters in vapor-liquid nucleation: A Monte Carlo simulation study (1999) (66)
Tuning thermal contact conductance at graphene-copper interface via surface nanoengineering. (2015) (65)
Structure and stability of two dimensional phosphorene with O or NH functionalization (2014) (64)
Highly Efficient and Anomalous Charge Transfer in van der Waals Trilayer Semiconductors. (2017) (63)
Exploration of Structures of Two-Dimensional Boron-Silicon Compounds with sp(2) Silicon. (2013) (63)
Zero-Dimensional Organic-Inorganic Perovskite Variant: Transition between Molecular and Solid Crystal. (2018) (63)
Stability of Metal-Encapsulating Boron Fullerene B40. (2015) (63)
Lotus effect in engineered zirconia. (2008) (63)
Polymorphic phases of sp3-hybridized carbon under cold compression. (2012) (62)
Designs of fullerene-based frameworks for hydrogen storage (2014) (62)
Unraveling Oxygen Evolution in Li-Rich Oxides: A Unified Modeling of the Intermediate Peroxo/Superoxo-like Dimers. (2019) (62)
Tuning the electronic properties of transition-metal trichalcogenides via tensile strain. (2015) (62)
Ferroelectric ordering in ice nanotubes confined in carbon nanotubes. (2007) (62)
A high performance direct carbon solid oxide fuel cell – A green pathway for brown coal utilization (2019) (62)
Cooperative effects in one-dimensional chains of three-center hydrogen bonding interactions (2003) (61)
One-pot formation of large macrocycles with modifiable peripheries and internal cavities. (2009) (61)
Structural evolution of anionic silicon clusters SiN (20 <or= N <or= 45). (2006) (60)
Electronic structures and electronic spectra of all-boron fullerene B40. (2015) (60)
Ferroelectric hexagonal and rhombic monolayer ice phases (2014) (60)
Inorganic nanoribbons with unpassivated zigzag edges: Half metallicity and edge reconstruction (2011) (60)
The search for the most stable structures of silicon-carbon monolayer compounds. (2014) (59)
New Structure Model of Au22(SR)18: Bitetrahederon Golden Kernel Enclosed by [Au6(SR)6] Au(I) Complex. (2015) (59)
Search for global minimum geometries for medium sized germanium clusters: Ge12-Ge20. (2005) (59)
Global geometry optimization of silicon clusters described by three empirical potentials (2003) (59)
A photoelectron spectroscopy and ab initio study of the structures and chemical bonding of the B25(-) cluster. (2014) (59)
Self-scrolling MoS2 metallic wires. (2018) (59)
Double Perovskite Cs2BBiX6 (B = Ag, Cu; X = Br, Cl)/TiO2 Heterojunction: An Efficient Pb-Free Perovskite Interface for Charge Extraction (2017) (59)
Quasi-1D TiS3 Nanoribbons: Mechanical Exfoliation and Thickness-Dependent Raman Spectroscopy. (2018) (59)
Homogenous Alloys of Formamidinium Lead Triiodide and Cesium Tin Triiodide for Efficient Ideal-Bandgap Perovskite Solar Cells. (2017) (59)
Ab initio study of structural and magnetic properties of TM(n)(ferrocene)(n+1) (TM = Sc, Ti, V, Mn) sandwich clusters and nanowires (n = infinity). (2009) (58)
Anisotropy of crystal-melt interfacial free energy of silicon by simulation (2008) (57)
Double metallocene nanowires. (2009) (57)
Melting temperature of ice Ih calculated from coexisting solid-liquid phases. (2005) (57)
Machine learning and artificial neural network prediction of interfacial thermal resistance between graphene and hexagonal boron nitride. (2018) (57)
New Mechanistic Pathways for Criegee-Water Chemistry at the Air/Water Interface. (2016) (56)
Tuning the electronic properties of the golden buckyball by endohedral doping: M@Au16(-) (M = Ag,Zn,In). (2009) (56)
B27(-): Appearance of the smallest planar boron cluster containing a hexagonal vacancy. (2015) (56)
First-principles study of a carbon nanobud. (2008) (55)
Ion-specific ice recrystallization provides a facile approach for the fabrication of porous materials (2017) (55)
Chemically decorated boron-nitride nanoribbons (2009) (55)
Two-Dimensional Metal-Free Organic Multiferroic Material for Design of Multifunctional Integrated Circuits. (2017) (55)
Half‐Metallic Behavior in 2D Transition Metal Dichalcogenides Nanosheets by Dual‐Native‐Defects Engineering (2017) (55)
Unraveling the hidden function of a stabilizer in a precursor in improving hybrid perovskite film morphology for high efficiency solar cells (2016) (54)
Monolayer triphosphates MP3 (M = Sn, Ge) with excellent basal catalytic activity for hydrogen evolution reaction. (2019) (54)
Semiring chemistry of Au25(SR)18: fragmentation pathway and catalytic active site. (2013) (54)
Gold-coated transition-metal anion [Mn13@Au20]- with ultrahigh magnetic moment. (2007) (54)
Ruthenium nanoparticles mounted on multielement co-doped graphene: an ultra-high-efficiency cathode catalyst for Li–O2 batteries (2015) (54)
Backbone-rigidified oligo(m-phenylene ethynylenes). (2004) (54)
Search for Lowest-Energy Fullerenes 2: C38 to C80 and C112 to C120† (2007) (53)
Effective CO oxidation on endohedral gold-cage nanoclusters (2008) (53)
Unraveling the high-activity nature of Fe–N–C electrocatalysts for the oxygen reduction reaction: the extraordinary synergy between Fe–N4 and Fe4N (2019) (53)
Toll-like receptor 4 mediates chronic restraint stress-induced immune suppression (2008) (52)
Microscopic insight into surface wetting: relations between interfacial water structure and the underlying lattice constant. (2013) (52)
Pd nanoparticles decorating flower-like Co3O4 nanowire clusters to form an efficient, carbon/binder-free cathode for Li–O2 batteries (2015) (52)
Energetics and cooperativity in three-center hydrogen bonding interactions. II. Intramolecular hydrogen bonding systems (2001) (51)
Enhanced Li-O2 battery performance, using graphene-like nori-derived carbon as the cathode and adding LiI in the electrolyte as a promoter (2016) (50)
Search for lowest-energy fullerenes: C98 to C110. (2006) (50)
Eighteen functional monolayer metal oxides: wide bandgap semiconductors with superior oxidation resistance and ultrahigh carrier mobility (2019) (50)
Structures and stability of medium-sized silicon clusters. III. Reexamination of motif transition in growth pattern from Si15 to Si20. (2005) (49)
High-Performance, Ultralow Platinum Membrane Electrode Assembly Fabricated by In Situ Deposition of a Pt Shell Layer on Carbon-Supported Pd Nanoparticles in the Catalyst Layer Using a Facile Pulse Electrodeposition Approach (2015) (48)
Ab initio calculation of carbon clusters. II. Relative stabilities of fullerene and nonfullerene C24. (2008) (48)
Tuning the electronic properties of monolayer and bilayer PtSe2via strain engineering (2016) (47)
Interlayer thermal conductance within a phosphorene and graphene bilayer. (2016) (46)
Molecular dynamics simulation of supersaturated vapor nucleation in slit pore (2000) (46)
Highly selective adsorption of methanol in carbon nanotubes immersed in methanol-water solution. (2012) (46)
Carrier-tunable magnetic ordering in vanadium-naphthalene sandwich nanowires. (2010) (46)
A novel stability-enhanced lithium-oxygen battery with cellulose-based composite polymer gel as the electrolyte (2015) (45)
Ab initio study of hydrogen adsorption on benzenoid linkers in metal–organic framework materials (2007) (45)
Aluminum and Nitrogen Codoped Graphene: Highly Active and Durable Electrocatalyst for Oxygen Reduction Reaction (2018) (45)
Ab initio studies of quasi-one-dimensional pentagon and hexagon ice nanotubes (2003) (45)
Structure evolution of gold cluster anions between the planar and cage structures by isoelectronic substitution: Au(n)- (n = 13-15) and MAu(n)- (n = 12-14; M = Ag, Cu). (2011) (45)
Water in Inhomogeneous Nanoconfinement: Coexistence of Multilayered Liquid and Transition to Ice Nanoribbons. (2015) (45)
A vesicle cell under collision with a Janus or homogeneous nanoparticle: translocation dynamics and late-stage morphology. (2013) (44)
Detecting weak interactions between Au- and gas molecules: a photoelectron spectroscopic and ab initio study. (2009) (44)
Nucleation of water and methanol droplets on cations and anions: the sign preference. (2001) (44)
Formation of HONO from the NH3-promoted hydrolysis of NO2 dimers in the atmosphere (2018) (44)
Effect of polarizability of halide anions on the ionic solvation in water clusters (2003) (44)
Structures and relative stability of medium-sized silicon clusters. V. Low-lying endohedral fullerenelike clusters Si31-Si40 and Si45. (2006) (44)
Half-Metallicity in One-Dimensional Metal Trihydride Molecular Nanowires. (2017) (44)
A small-system ensemble Monte Carlo simulation of supersaturated vapor: Evaluation of barrier to nucleation (2000) (44)
Multiferroic materials based on organic transition-metal molecular nanowires. (2012) (44)
Palladium-catalyzed oxidative cross-coupling of N-tosylhydrazones with indoles: synthesis of N-vinylindoles. (2013) (44)
Conversion of polystyrene foam to a high-performance doped carbon catalyst with ultrahigh surface area and hierarchical porous structures for oxygen reduction (2014) (43)
Kinetic and mechanistic investigations of the direct synthesis of dimethyl carbonate from carbon dioxide over ceria nanorod catalysts (2016) (43)
Vapor-liquid coexistence of quasi-two-dimensional Stockmayer fluids (1997) (43)
IrO2 nanoparticles highly dispersed on nitrogen-doped carbon nanotubes as an efficient cathode catalyst for high-performance Li-O2 batteries (2017) (43)
Large-scale molecular-dynamics simulation of nanoscale hydrophobic interaction and nanobubble formation. (2005) (43)
Energetics and cooperativity in three-center hydrogen bonding interactions. I. Diacetamide-X dimers (X=HCN, CH3OH) (2001) (43)
Why Is MP2-Water "Cooler" and "Denser" than DFT-Water? (2016) (43)
Direct simulation evidence of generation of oxygen vacancies at the golden cage Au16 and TiO2 (110) interface for CO oxidation. (2014) (43)
Graphene-like bilayer hexagonal silicon polymorph (2010) (42)
PtPd(111) Surface versus PtAu(111) Surface: Which one is more Active for Methanol Oxidation? (2018) (42)
Possible lowest-energy geometry of silicon clusters Si21 and Si25. (2003) (42)
Three-dimensional network model of carbon containing only sp2-carbon bonds and boron nitride analogues. (2011) (41)
Simulation Evidence of Hexagonal‐to‐Tetragonal ZnSe Structure Transition: A Monolayer Material with a Wide‐Range Tunable Direct Bandgap (2015) (41)
Water-Promoted O-2 Dissociation on Small-Sized Anionic Gold Clusters (2012) (41)
Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube (2017) (41)
Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels (2015) (41)
Tin and germanium based two-dimensional Ruddlesden-Popper hybrid perovskites for potential lead-free photovoltaic and photoelectronic applications. (2018) (40)
Hydrogen Production via Efficient Formic Acid Decomposition: Engineering the Surface Structure of Pd-Based Alloy Catalysts by Design (2018) (40)
Structural Evolution of Medium-Sized Gold Clusters Aun– (n = 36, 37, 38): Appearance of Bulk-Like Face Centered Cubic Fragment (2014) (40)
Probing the electronic and structural properties of doped aluminum clusters: MAl12- (M=Li, Cu, and Au). (2008) (40)
Structural and magnetic properties of Gd3N@C80. (2006) (40)
Highly efficient N2 fixation catalysts: transition-metal carbides M2C (MXenes). (2019) (40)
In situ construction of Ir@Pt/C nanoparticles in the cathode layer of membrane electrode assemblies with ultra-low Pt loading and high Pt exposure (2017) (40)
Shape-persistent macrocyclic aromatic tetrasulfonamides: Molecules with nanosized cavities and their nanotubular assemblies in solid state. (2006) (39)
Onset of double helical structure in small-sized homoleptic gold thiolate clusters. (2009) (39)
Charge-injection induced magnetism and half metallicity in single-layer hexagonal group III/V (BN, BP, AlN, AlP) systems (2010) (39)
Nitric Acid-Amine Chemistry in the Gas Phase and at the Air-Water Interface. (2018) (39)
Unraveling structures of protection ligands on gold nanoparticle Au68(SH)32 (2015) (39)
Sawtooth-like graphene nanoribbon (2008) (39)
Isomerism and structural fluxionality in the Au26 and Au26(-) nanoclusters. (2014) (38)
Probing Structural, Electronic, and Magnetic Properties of Iron-Doped Semiconductor Clusters Fe2Gen–/0 (n = 3–12) via Joint Photoelectron Spectroscopy and Density Functional Study (2017) (38)
MoS 2 /MX 2 heterobilayers: bandgap engineering via tensile strain or external electrical ﬁ eld † (2013) (38)
Directly predicting limiting potentials from easily obtainable physical properties of graphene-supported single-atom electrocatalysts by machine learning (2020) (38)
A Descriptor-Based Design Principle for Two-Dimensional Single-Atom Catalysts: Carbon Dioxide Electroreduction. (2020) (38)
Structural and electronic properties of Gd@C60: All-electron relativistic total-energy study (2006) (38)
A new strategy for folding oligo(m-phenylene ethynylenes). (2003) (38)
Enhancing the cyclability of Li–O2 batteries using PdM alloy nanoparticles anchored on nitrogen-doped reduced graphene as the cathode catalyst (2017) (38)
Direct X-ray observation of trapped CO₂ in a predesigned porphyrinic metal-organic framework. (2014) (38)
Multifunctional Binary Monolayers Ge xP y: Tunable Band Gap, Ferromagnetism, and Photocatalyst for Water Splitting. (2018) (38)
High-Performance Ru1 /CeO2 Single-Atom Catalyst for CO Oxidation: A Computational Exploration. (2016) (38)
γ-Selective directed catalytic asymmetric hydroboration of 1,1-disubstituted alkenes. (2012) (37)
Chronic restraint stress modulates expression of genes in murine spleen (2006) (37)
Reaction of Criegee Intermediate with Nitric Acid at the Air-Water Interface. (2018) (37)
Ab initio theoretical study of non-covalent adsorption of aromatic molecules on boron nitride nanotubes. (2011) (37)
Metallic surface doping of metal halide perovskites (2021) (37)
Inch-Scale Grain Boundary Free Organic Crystals Developed by Nucleation Seed-Controlled Shearing Method. (2018) (37)
Self-Assembly of Janus Oligomers into Onion-like Vesicles with Layer-by-Layer Water Discharging Capability: A Minimalist Model. (2016) (37)
Thermal contact resistance across a linear heterojunction within a hybrid graphene/hexagonal boron nitride sheet. (2016) (37)
Interaction of the NH2 Radical with the Surface of a Water Droplet. (2015) (37)
Aromatic oligoamide macrocycles from the bimolecular coupling of folded oligomeric precursors (2009) (36)
Electronic and transport properties of porous graphenes: two-dimensional benzo- and aza-fused π-conjugated-microporous-polymer sheets and boron–nitrogen co-doped derivatives (2014) (36)
Search for global-minimum geometries of medium-sized germanium clusters. II. Motif-based low-lying clusters Ge21-Ge29. (2006) (36)
Surprising Stability of Larger Criegee Intermediates on Aqueous Interfaces. (2017) (35)
Interaction of SO2 with the Surface of a Water Nanodroplet. (2017) (35)
Differential Permeability of Proton Isotopes through Graphene and Graphene Analogue Monolayer. (2016) (35)
Design of ferroelectric organic molecular crystals with ultrahigh polarization. (2014) (35)
A novel strategy for realizing high nitrogen doping in Fe3C-embedded nitrogen and phosphorus-co-doped porous carbon nanowires: efficient oxygen reduction reaction catalysis in acidic electrolytes (2019) (35)
Enantioselective desymmetrization via carbonyl-directed catalytic asymmetric hydroboration and Suzuki-Miyaura cross-coupling. (2015) (34)
"π-Hole-π" Interaction Promoted Photocatalytic Hydrodefluorination via Inner-Sphere Electron Transfer. (2016) (34)
Hydrogen bonding and cooperative effects in mixed dimers and trimers of methanol and trifluoromethanol: An ab initio study (1999) (34)
Twisted MX2/MoS2 heterobilayers: effect of van der Waals interaction on the electronic structure. (2017) (34)
Density functional theory for freezing of a binary hard sphere liquid (1990) (34)
Hollow polyhedral structures in small gold-sulfide clusters. (2011) (34)
Spontaneous formation of one-dimensional hydrogen gas hydrate in carbon nanotubes. (2014) (34)
Structural Evolution of Core-Shell Gold Nanoclusters: Aun- (n = 42-50). (2016) (33)
The transport properties of sodium-ion in the low potential platform region of oatmeal-derived hard carbon for sodium-ion batteries (2019) (33)
Molecular dynamics of homogeneous nucleation in the vapor phase of Lennard-Jones. III. Effect of carrier gas pressure. (2007) (33)
Heterogeneous nucleation on mesoscopic wettable particles: A hybrid thermodynamic/density-functional theory (2002) (33)
Oxygen Intercalation of Graphene on Transition Metal Substrate: An Edge-Limited Mechanism. (2015) (33)
Elastic properties of poly(vinyldene fluoride) (PVDF) crystals: A density functional theory study (2011) (33)
Two Dimensional Epitaxial Water Adlayer on Mica with Graphene Coating: An ab Initio Molecular Dynamics Study. (2012) (33)
First-principles molecular dynamics simulation of atmospherically relevant anion solvation in supercooled water droplet. (2013) (32)
B-Doped MnN4-G Nanosheets as Bifunctional Electrocatalysts for Both Oxygen Reduction and Oxygen Evolution Reactions (2019) (32)
Unraveling nucleation pathway in methane clathrate formation (2020) (32)
Lateral and flexural phonon thermal transport in graphene and stanene bilayers. (2017) (32)
Cadmium Modified HZSM-5: A Highly Efficient Catalyst for Selective Transformation of Methanol to Aromatics (2017) (32)
Computational analysis of stable hard structures in the Ti-B system. (2015) (32)
A patching model for surface tension and the Tolman length (1999) (32)
Combustion synthesized macroporous structure MFe2O4 (M= Zn, Co) as anode materials with excellent electrochemical performance for lithium ion batteries (2017) (32)
Structures and relative stability of medium- and large-sized silicon clusters. VI. Fullerene cage motifs for low-lying clusters Si(39), Si(40), Si(50), Si(60), Si(70), and Si(80). (2008) (31)
Molecular Dynamics Simulation of Water Nanodroplet Bounce Back from Flat and Nanopillared Surface. (2017) (31)
Two-step oxalate approach for the preparation of high performance LiNi 0.5 Mn 1.5 O 4 cathode material with high voltage (2014) (31)
Copper(i) sulfide: a two-dimensional semiconductor with superior oxidation resistance and high carrier mobility. (2019) (31)
CO chemisorption on the surfaces of the golden cages. (2009) (31)
Time-Resolved Measurements of Photocarrier Dynamics in TiS3 Nanoribbons. (2016) (31)
Water desalination through rim functionalized carbon nanotubes (2019) (31)
Patterned Hydrogenation of Graphene: Magnetic Quantum Dot Array (2010) (31)
Electronic structures of defective boron nitride nanotubes under transverse electric fields (2008) (30)
Thermodynamic expansion of nucleation free-energy barrier and size of critical nucleus near the vapor-liquid coexistence (1999) (30)
Graphene/antimonene/graphene heterostructure: A potential anode for sodium-ion batteries (2019) (30)
Organometallic Hexahapto-Functionalized Graphene: Band Gap Engineering with Minute Distortion to the Planar Structure (2013) (30)
Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters. (2016) (30)
Prediction of a new ice clathrate with record low density: A potential candidate as ice XIX in guest-free form (2017) (29)
Assessment of Catalytic Activities of Gold Nanoclusters with Simple Structure Descriptors (2018) (29)
Carbon Nanotube Superarchitectures: An Ab Initio Study (2011) (29)
Enhanced cyclability of Li-O2 batteries with cathodes of Ir and MnO2 supported on well-defined TiN arrays. (2018) (28)
Mechanistic Insights into Carbonyl-Directed Rhodium-Catalyzed Hydroboration: ab Initio Study of a Cyclic γ,δ-Unsaturated Amide (2014) (28)
Self-Assembly of Triblock Janus Nanoparticle in Nanotube. (2013) (28)
Stuffed fullerene structures for medium-sized silicon clusters (2005) (28)
Effects of confinement on the phase behavior of supercooled water (1998) (28)
A patching model for surface tension of spherical droplet and Tolman length. II (1999) (28)
Porphyrinic porous organic frameworks: preparation and post-synthetic modification via demetallation–remetallation (2014) (28)
Design of Single‐Molecule Multiferroics for Efficient Ultrahigh‐Density Nonvolatile Memories (2018) (27)
Design of ultralong-life Li–CO2 batteries with IrO2 nanoparticles highly dispersed on nitrogen-doped carbon nanotubes (2020) (27)
Homogeneous nucleation at high supersaturation and heterogeneous nucleation on microscopic wettable particles: A hybrid thermodynamic/density-functional theory. (2006) (26)
Chemisorption-Induced 2D–3D–2D Structural Transitions in Gold Heptamer: (CO)nAu7– (n = 1–4) (2011) (26)
Ab initio prediction of amorphous B84. (2010) (26)
Unraveling a New Chemical Mechanism of Missing Sulfate Formation in Aerosol Haze : Gaseous NO2 with aqueous HSO3-/SO32. (2019) (26)
Confined water in hydrophobic nanopores: dynamics of freezing into bilayer ice. (1999) (26)
Controlling states of water droplets on nanostructured surfaces by design. (2017) (26)
Two-Dimensional Gold Sulfide Monolayers with Direct Band Gap and Ultrahigh Electron Mobility. (2019) (26)
Crescent oligoamides as hosts: conformation-dependent binding specificity. (2009) (26)
Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface. (2016) (26)
Enforced Tubular Assembly of Electronically Different Hexakis(m-Phenylene Ethynylene) Macrocycles: Persistent Columnar Stacking Driven by Multiple Hydrogen-Bonding Interactions. (2017) (25)
Single-walled MoTe(2) nanotubes. (2007) (25)
Mn monolayer modified Rh for syngas-to-ethanol conversion: a first-principles study. (2012) (25)
Catalytic Activities of Subnanometer Gold Clusters ( Au 16 Au 18 , Au 20 , and Au 27 Au 35 ) for CO Oxidation (2011) (25)
Applications of modified weighted density functional theory: Freezing of simple liquids (1990) (25)
Large negative magnetoresistance induced by anionic solid solutions in two-dimensional spin-frustrated transition metal chalcogenides. (2014) (25)
Freezing transition of a strongly dipolar simple fluid (2000) (25)
Unexpected quenching effect on new particle formation from the atmospheric reaction of methanol with SO3 (2019) (24)
Molecular simulations of solid-liquid interfacial tension of silicon. (2006) (24)
New Computational Approach to Determine Liquid-Solid Phase Equilibria of Water Confined to Slit Nanopores. (2013) (24)
Core-Shell Magnetic Nanoclusters (2009) (24)
Fluorinating Hexagonal Boron Nitride/Graphene Multilayers into Hybrid Diamondlike Nanofilms with Tunable Energy Gap (2011) (24)
Al2C Monolayer Sheet and Nanoribbons with Unique Direction-Dependent Acoustic-Phonon-Limited Carrier Mobility and Carrier Polarity. (2016) (24)
Nanochannel with uniform and Janus surfaces: shear thinning and thickening in surfactant solution. (2012) (24)
Tuning the magnetic and electronic properties of bilayer graphene nanoribbons on Si(001) by bias voltage (2010) (24)
Benzoquinone-Promoted Aerobic Oxidative Hydroxylation of Arylboronic Acids in Water (2013) (23)
High ZT 2D Thermoelectrics by Design: Strong Interlayer Vibration and Complete Band‐Extrema Alignment (2020) (23)
van der Waals trilayers and superlattices : modi fi cation of electronic structures of MoS 2 by intercalation † (2014) (23)
The structural isomerism in gold nanoclusters. (2018) (23)
Phonon thermal transport in a graphene/MoSe2 van der Waals heterobilayer. (2018) (23)
In- and Ga-based inorganic double perovskites with direct bandgaps for photovoltaic applications. (2017) (23)
Understanding the quenching nature of Mn4+ in wide band gap inorganic compounds: design principles for Mn4+ phosphors with higher efficiency. (2018) (23)
Solid-Liquid Interfacial Free Energy of Water: A Molecular Dynamics Simulation Study. (2007) (23)
Point defects in lines in single crystalline phosphorene: directional migration and tunable band gaps. (2016) (23)
An extension of the quasicontinuum treatment of multiscale solid systems to nonzero temperature. (2004) (23)
Mechanistic Insight into the Reaction of Organic Acids with SO3 at the Air-Water Interface. (2019) (23)
Tri-Wing Graphene Nano-Paddle-Wheel with a Single-File Metal Joint: Formation of Multi-Planar Tetracoordinated-Carbon (ptC) Strips (2012) (23)
A type-I van der Waals heterobilayer of WSe2/MoTe2 (2018) (22)
Gas–liquid nucleation in two‐dimensional fluids (1996) (22)
Direct observation of 2-dimensional ices on different surfaces near room temperature without confinement (2019) (22)
Insights into High Conductivity of the Two-Dimensional Iodine-Oxidized sp2-c-COF. (2018) (22)
Free‐Standing All‐Nanoparticle Thin Fibers: A Novel Nanostructure Bridging Zero‐ and One‐Dimensional Nanoscale Features (2009) (22)
A molecular perspective for global modeling of upper atmospheric NH3 from freezing clouds (2018) (21)
Water Confined in Nanocapillaries: Two-Dimensional Bilayer Squarelike Ice and Associated Solid-Liquid-Solid Transition (2018) (21)
Cooperative effects in two-dimensional ring-like networks of three-center hydrogen bonding interactions. (2005) (21)
Au13(8e): A secondary block for describing a special group of liganded gold clusters containing icosahedral Au13 motifs (2017) (21)
PbTiO3 as Electron‐Selective Layer for High‐Efficiency Perovskite Solar Cells: Enhanced Electron Extraction via Tunable Ferroelectric Polarization (2018) (21)
Liquid-solid and solid-solid phase transition of monolayer water: high-density rhombic monolayer ice. (2014) (21)
Unusual Magnetic Properties of Functionalized Graphene Nanoribbons (2013) (21)
A one-pot method to synthesize high performance multielement co-doped reduced graphene oxide catalysts for oxygen reduction (2014) (21)
Probing the structures of gold-aluminum alloy clusters AuxAly(-): a joint experimental and theoretical study. (2016) (21)
Correlation effects and electronic structure of Gd@C60 (2007) (21)
Coarse-graining description of solid systems at nonzero temperature (2003) (21)
Gibbs ensemble simulation of HCFC/HFC mixtures by effective Stockmayer potential (1999) (21)
Extremely strong tubular stacking of aromatic oligoamide macrocycles† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c4sc02380c Click here for additional data file. (2014) (20)
Effect of pre-calcined ceramic powders at different temperatures on Ni-YSZ anode-supported SOFC cell/stack by low pressure injection molding (2019) (20)
Integration of a functionalized graphene nano-network into a planar perovskite absorber for high-efficiency large-area solar cells (2018) (20)
M4 @Si28 (M=Al,Ga): metal-encapsulated tetrahedral silicon fullerene. (2005) (20)
Structural and magnetic evolution of bimetallic MnAu clusters driven by asymmetric atomic migration. (2014) (20)
Niobium oxide dihalides NbOX2: a new family of two-dimensional van der Waals layered materials with intrinsic ferroelectricity and antiferroelectricity (2019) (20)
Theoretical studies on tunable electronic structures and potential applications of two‐dimensional arsenene‐based materials (2018) (20)
Search for lowest-energy nonclassical fullerenes III: C22. (2009) (20)
Effect of carrier-gas pressure on barrier to nucleation: Monte Carlo simulation of water/nitrogen system (2001) (20)
An ab initio study of the nickel-catalyzed transformation of amorphous carbon into graphene in rapid thermal processing. (2016) (20)
Molecular dynamics simulations of urea-water binary droplets on flat and pillared hydrophobic surfaces. (2010) (20)
Dipole-induced, thermally stable lamellar structure by polar aromatic silane. (2009) (20)
[CTi7(2+)]: Heptacoordinate Carbon Motif? (2012) (19)
Influence of atmospheric conditions on sulfuric acid-dimethylamine-ammonia-based new particle formation. (2019) (19)
Tuning the electronic properties of monolayerand bilayer PtSe 2 via strain engineering (2016) (19)
Structural Evolution of Gold Clusters Aun- (n = 21-25) Revisited. (2017) (19)
Water transport through subnanopores in the ultimate size limit: Mechanism from molecular dynamics (2018) (19)
Co-precipitation synthesis of alumina doped yttria stabilized zirconia (2018) (19)
Kagome-like lattice of π-π stacked 3-hydroxyphenalenone on Cu(111). (2014) (19)
Two-dimensional to three-dimensional structural transition of gold cluster Au10 during soft landing on TiO2 surface and its effect on CO oxidation. (2010) (19)
TiO2–MoS2 hybrid nano composites with 3D network architecture as binder-free flexible electrodes for lithium ion batteries (2017) (19)
Pt5Se4 Monolayer: A Highly Efficient Electrocatalyst towards Hydrogen and Oxygen Electrode Reactions. (2020) (19)
Formation of Quasi Two-dimensional Bilayer Ice in Hydrophobic Slits: A Possible Candidate for Ice XIII? (2003) (19)
Effect of an electric field on the surface tension of a dipolar-quadrupolar fluid and its implication for sign preference in droplet nucleation. (2002) (19)
Interfaces Select Specific Stereochemical Conformations: The Isomerization of Glyoxal at the Liquid Water Interface. (2017) (19)
Au6S2 monolayer sheets: metallic and semiconducting polymorphs (2017) (19)
Atmospheric Spectroscopy and Photochemistry at Environmental Water Interfaces. (2019) (18)
Doped reduced graphene oxide mounted with IrO 2 nanoparticles shows significantly enhanced performance as a cathode catalyst for Li-O 2 batteries (2016) (18)
Formation of aqueous-phase sulfate during the haze period in China: Kinetics and atmospheric implications (2018) (18)
N-Sulfonyl acetylketenimine as a highly reactive intermediate for the synthesis of N-sulfonyl amidines. (2018) (18)
Catalytic Directional Cutting of Hexagonal Boron Nitride: The Roles of Interface and Etching Agents. (2017) (18)
Molecular Insight into Different Denaturing Efficiency of Urea, Guanidinium, and Methanol: A Comparative Simulation Study. (2013) (18)
Formation of Trilayer Ices in Graphene Nanocapillaries under High Lateral Pressure (2016) (18)
Computer simulation of bilayer ice: structures and thermodynamics (2003) (18)
Toward a molecular theory of vapor-phase nucleation. V. Self-consistency in the decoupled dimer limit (1997) (18)
Mean field theory for weakly nonlinear composites (1989) (18)
Probing the Structural Evolution of Gold–Aluminum Bimetallic Clusters (Au2Aln–, n = 3–11) Using Photoelectron Spectroscopy and Theoretical Calculations (2017) (18)
Amide Functionalization of Graphene and Carbon Nanotubes: Coverage- and Pattern-Dependent Electronic and Magnetic Properties (2012) (18)
Formation of CO2 Hydrates within Single-Walled Carbon Nanotubes at Ambient Pressure: CO2 Capture and Selective Separation of a CO2/H2 Mixture in Water (2018) (18)
Effect of apical defects and doped atoms on field emission of boron nitride nanocones. (2006) (18)
Electrochemical Behavior of Spherical LiFePO4/C Nanomaterial in Aqueous Electrolyte, and Novel Aqueous Rechargeable Lithium Battery with LiFePO4/C anode (2015) (17)
Tuning the Stereoselectivity and Solvation Selectivity at Interfacial and Bulk Environments by Changing Solvent Polarity: Isomerization of Glyoxal in Different Solvent Environments. (2018) (17)
Mechanistic insights into tunable luminescence and persistent luminescence of the full-color-emitting BCNO phosphors (2017) (17)
The melting temperature of bulk silicon from ab initio molecular dynamics simulations (2009) (17)
Statistical Mechanics of Surface Tension and Tolman Length of Dipolar Fluids (2001) (17)
Mechanistic insights into tunable luminescence and persistent luminescence of the full-color-emitting BCNO phosphors (2017) (17)
Co-mixing hydrogen and methane may double the energy storage capacity (2018) (17)
Resonant photoemission observations and DFT study of s-d hybridization in catalytically active gold clusters on ceria nanorods. (2013) (17)
Monte Carlo simulation of homogeneous binary vapor–liquid nucleation: Mutual enhancement of nucleation in a partially miscible system (2001) (16)
Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram (2019) (16)
Integral equation and Monte Carlo simulation studies of clusters in infinitely dilute supercritical solutions (1995) (16)
Self-assembled nanolayers of conjugated silane with pi-pi interlocking. (2010) (16)
Reconciling the Debate on the Existence of Pentazole HN5 in the Pentazolate Salt of (N5)6(H3O)3(NH4)4Cl. (2019) (16)
Size-Dependent Phase Changes in Water Clusters. (2011) (16)
AB-stacked square-like bilayer ice in graphene nanocapillaries. (2016) (16)
Two-dimensional interlocked pentagonal bilayer ice: how do water molecules form a hydrogen bonding network? (2016) (16)
Thermal transport in phosphorene and phosphorene-based materials: A review on numerical studies (2018) (16)
Use of Ion Exchange to Regulate the Heterogeneous Ice Nucleation Efficiency of Mica. (2020) (16)
Transition-metal-molecular sandwich nanowires as magnetic on/off switch (2011) (16)
Direct synthesis of bifunctional nanorods from a Co–adenine–MoO3 hybrid for overall water splitting (2020) (16)
Research Progress toward Room Temperature Sodium Sulfur Batteries: A Review (2021) (16)
Structural Evolution of Gold-Doped Bismuth Clusters AuBin– (n = 4–8) (2018) (16)
Phase transitions and ferroelasticity–multiferroicity in bulk and two-dimensional silver and copper monohalides (2019) (16)
Au60-: The Smallest Gold Cluster with the High-Symmetry Icosahedral Core Au13. (2019) (15)
A novel hydroxyalkyl-decyanation of 4-pyridinecarbonitrile: A facile selective synthesis of 4-pyridinemethanols (1995) (15)
Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. II. Thermostatted atomic-wall model (2001) (15)
Search for lowest-energy structure of Zintl dianion Si(12)(2-), Ge(12)(2-), and Sn(12)(2-). (2008) (15)
Rutile TiO2(011)-2 × 1 Reconstructed Surfaces with Optical Absorption over the Visible Light Spectrum. (2016) (15)
Medium-sized Au40(SR)24 and Au52(SR)32 nanoclusters with distinct gold-kernel structures and spectroscopic features. (2016) (15)
Hydration, Solvation and Isomerization of Methylglyoxal at the Air/Water Interface: New Mechanistic Pathways. (2020) (15)
Structural evolution and magnetic properties of anionic clusters Cr2Gen (n = 3–14): photoelectron spectroscopy and density functional theory computation (2018) (15)
Ab initio study of structural, electronic, and magnetic properties of V(n)(C(60))(m) complexes. (2009) (15)
Turning a Superhydrophilic Surface Weakly Hydrophilic: Topological Wetting States. (2020) (15)
Theoretical and experimental characterization of structures of MnAu nanoclusters in the size range of 1-3 nm. (2011) (15)
Structure and thermophysical properties of single- wall Si nanotubes (2008) (15)
Electronic and magnetic properties of endohedrally doped fullerene Mn@C(60): a total energy study. (2008) (15)
Excitations of precursor molecules by different laser powers in laser-assisted growth of diamond films (2010) (14)
First-Principles Molecular Dynamics Simulations of the Spontaneous Freezing Transition of 2D Water in a Nanoslit. (2021) (14)
Carbon nanotube and boron nitride nanotube hosted C60–V nanopeapods (2013) (14)
Molecularly Intercalated Nanoflakes: A Supramolecular Composite for Strong Energy Absorption (2010) (14)
Facile and Versatile Functionalization of Two‐Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity, Valleytronics, and Photovoltaics (2019) (14)
Dense monolayer films of atomically precise graphene nanoribbons on metallic substrates enabled by direct contact transfer of molecular precursors. (2017) (14)
Rationally Designed Three-Dimensional N-Doped Graphene Architecture Mounted with Ru Nanoclusters as a High-Performance Air Cathode for Lithium–Oxygen Batteries (2020) (14)
Crystalline ice grown on the surface of the ferroelectric polymer poly(vinylidene fluoride) (70%) and trifluoroethylene (30%). (2005) (14)
Persistent Luminescence Hole-Type Materials by Design: Transition-Metal-Doped Carbon Allotrope and Carbides. (2016) (14)
Computer simulation of liquidvapor interfacial tension: Lennard-jones fluid and water revisited (2009) (14)
Vapour - liquid equilibria of binary mixtures containing Stockmayer molecules (1997) (14)
Polygermanes: bandgap engineering via tensile strain and side-chain substitution. (2014) (13)
Can thin disk-like ice clusters be more stable than compact droplet-like ice clusters? (1999) (13)
CO Separation from H2 via Hydrate Formation in Single-Walled Carbon Nanotubes. (2016) (13)
P3Cl2: A Unique Post-Phosphorene 2D Material with Superior Properties against Oxidation. (2018) (13)
Interaction between O2 and neutral/charged Aun (n = 1–3) clusters: A comparative study between density-functional theory and coupled cluster calculations (2014) (13)
Phase behaviors of deeply supercooled bilayer water unseen in bulk water (2018) (13)
Density-Functional Theory Studies of Step-Kinked Carbon Nanotubes (2011) (13)
Lead-free low-dimensional tin halide perovskites with functional organic spacers: breaking the charge-transport bottleneck (2019) (13)
Understanding molecular motor walking along a microtubule: a themosensitive asymmetric Brownian motor driven by bubble formation. (2013) (12)
Basis set effects on the intermolecular interaction of the CF4-CF4 system (2000) (12)
Tandem Synthesis of α-Diazoketones from 1,3-Diketones. (2017) (12)
Rotational Barrier for 1,1-Difluoroethane, 1,1,1,2-Tetrafluoroethane, Pentafluoroethane, and Hexafluoroethane: A Density Functional and ab Initio Molecular Orbital Study (1998) (12)
Towards complete assignment of the infrared spectrum of the protonated water cluster H+(H2O)21 (2021) (12)
Formation of bilayer clathrate hydrates (2015) (12)
Cooperativity effects in cyclic trifluoromethanol trimer: An ab initio study (1998) (12)
Quantitative Prediction of Aggregation-Induced Emission: A Full Quantum Mechanical Approach to the Optical Spectra. (2020) (12)
Enhanced electrocatalytic activity of palladium nanochains by modifying transition metal core-shell nanoparticles (TMcore-shell = Ni@NiO, Co@CoO) on reduced graphene oxide for methanol electro-oxidation (2019) (12)
Electronic Structure and Vibrational spectra of C 2 B 10 Based Clusters and Films (2006) (12)
Molecular dynamics study of a phase-separating fluid mixture under shear flow (1999) (12)
A bi-functional WO 3 -based anode enables both energy storage and conversion in an intermediate-temperature fuel cell (2018) (12)
Enhancing the cycling stability of a carbonate-based electrolyte for high-voltage lithium batteries by adding succinic anhydride (2015) (12)
One-pot synthesis of PdM/RGO (M=Co, Ni, or Cu) catalysts under the existence of PEG for electro-oxidation of methanol (2018) (12)
Control of crystallographic orientation in diamond synthesis through laser resonant vibrational excitation of precursor molecules (2014) (12)
Atomically Resolved Electrically Active Intragrain Interfaces in Perovskite Semiconductors (2022) (11)
Reexamine structures and relative stability of medium-sized silicon clusters: Low-lying endohedral fullerene-like clusters Si30–Si38 (2009) (11)
Analysis of the gas states at a liquid/solid interface based on interactions at the microscopic level. (2007) (11)
Monolayered semiconducting GeAsSe and SnSbTe with ultrahigh hole mobility (2018) (11)
Quantum confinement of crystalline silicon nanotubes with nonuniform wall thickness: Implication to modulation doping (2007) (11)
Phase diagrams of confined solutions of dimyristoylphosphatidylcholine (DMPC) lipid and cholesterol in nanotubes (2013) (11)
Effects of external electric field on the interfacial properties of weakly dipolar fluid (2001) (11)
Effects of line defects on the electronic properties of ZnO nanoribbons and sheets (2017) (11)
Green energy application technology of litchi pericarp-derived carbon material with high performance (2020) (11)
Two-Dimensional IV-V Monolayers with Highly Anisotropic Carrier Mobility and Electric Transport Properties. (2021) (11)
Au3(μ3-S)(0e) elementary block: new insights into ligated gold clusters with μ3-sulfido motifs. (2017) (11)
Freezing point and solid-liquid interfacial free energy of Stockmayer dipolar fluids: a molecular dynamics simulation study. (2013) (10)
Scanning motions of an atomic force microscope tip in water (1997) (10)
Photovoltaic Diode Effect Induced by Positive Bias Poling of Organic Layer‐Mediated Interface in Perovskite Heterostructure α‐HC(NH2)2PbI3/TiO2 (2016) (10)
The solid-liquid interfacial tension of diamond-structure Si and Ge (1989) (10)
Anatase (101) Reconstructed Surface with Novel Functionalities: Desired Bandgap for Visible Light Absorption and High Chemical Reactivity (2018) (10)
An ultralow-density porous ice with the largest internal cavity identified in the water phase diagram (2019) (10)
Manganese Oxide/Iron Carbide Encapsulated in Nitrogen and Boron Codoped Carbon Nanowire Networks as Accelerated Alkaline Hydrogen Evolution and Oxygen Reduction Bifunctional Electrocatalysts. (2022) (10)
Edge decorated SiC nanoribbons with metal: Coexistence of planar tetracoordinate carbon and silicon (2013) (10)
Two-dimensional crystallization of hexagonal bilayer with Moiré patterns. (2012) (10)
Plasma source ion implantation project at Southwestern Institute of Physics (1996) (10)
Additive dependent synthesis of bismuth oxybromide composites for photocatalytic removal of the antibacterial agent ciprofloxacin and mechanism insight (2017) (10)
Metal-Free Method for Direct Synthesis of Functionalized β-Ketoenamines. (2019) (10)
Influence of Structural Fluctuations, Proton Transfer, and Electric Field on Polarization Switching of Supported Two-Dimensional Hydrogen-Bonded Oxocarbon Monolayers (2015) (9)
New phases of 3d-transition metal–cerium binary compounds: an extensive structural search (2017) (9)
Understanding Hygroscopic Nucleation of Sulfate Aerosols: Combination of Molecular Dynamics Simulation with Classical Nucleation Theory. (2019) (9)
Erratum to: A universal principle for a rational design of single-atom electrocatalysts (Nature Catalysis, (2018), 1, 5, (339-348), 10.1038/s41929-018-0063-z) (2018) (9)
Covalent nitrophenyl diazonium functionalized silicene for spintronics: a first-principles study. (2015) (9)
Large magnetic anisotropy in chemically engineered iridium dimer (2018) (9)
Supramolecular Nanolayer Reconfiguration after Molecular Intercalation (2011) (9)
Erratum to: A universal principle for a rational design of single-atom electrocatalysts (Nature Catalysis, (2018), 1, 5, (339-348), 10.1038/s41929-018-0063-z) (2018) (9)
Molecular Design of Three-Dimensional Metal-Free A(NH4)X3 Perovskites for Photovoltaic Applications (2021) (9)
Can the ‘van der Waals loop’ vanish?: Effect of surface free energy (1994) (9)
Structural and Magnetic Properties of Gd 3 N@C 80 (2007) (9)
Liquid–solid phase transitions of Lennard-Jones particles confined to slit pores: towards the construction of temperature–pressure-slit width phase diagram (2012) (9)
Reply to "Comment on 'two-dimensional boron monolayer sheets'". (2013) (9)
Homogeneous nanocables from double-walled boron-nitride nanotubes using first-principles calculations (2010) (9)
STATIC FRICTIONAL FORCES AT CRYSTALLINE INTERFACES (1997) (9)
Carbon fragments as highly active metal-free catalysts for the oxygen reduction reaction: a mechanistic study. (2019) (9)
Vapor-liquid equilibria for pure HCFC/HFC substances by Gibbs ensemble simulation of Stockmayer potential molecules (1997) (9)
Two-dimensional MgX2Se4 (X = Al, Ga) monolayers with tunable electronic properties for optoelectronic and photocatalytic applications. (2019) (9)
Ultraviolet laser ablation of fluorine-doped tin oxide thin films for dye-sensitized back-contact solar cells (2013) (9)
Diisopropylammonium Bromide Based Two-Dimensional Ferroelectric Monolayer Molecular Crystal with Large In-Plane Spontaneous Polarization. (2019) (9)
Structural Evolution of Doped Gold Clusters: MAu‐x (M: Si, Ge, Sn; x = 5—8). (2009) (8)
Silicon-containing multidecker organometallic complexes and nanowires: A density functional theory study (2012) (8)
Computational Prediction of Novel Ice Phases: A Perspective. (2020) (8)
Comparative Study of Yttria-Stabilized Zirconia Synthesis by Co-Precipitation and Solvothermal Methods (2019) (8)
Copper(II) triflate-catalyzed direct arylation for synthesis of biphenyls using diaryliodonium salts as arylating reagents (2016) (8)
Effect of external electric field on the bulk and interfacial properties of weakly dipolar fluid in slab-shaped and sphere-shaped systems. (2003) (8)
Spinel LiMn2O4 Nanoparticles Grown in Situ on Nitrogen-Doped Reduced Graphene Oxide as an Efficient Cathode for a Li-O2/Li-Ion Twin Battery (2018) (8)
Interaction between Iron and Graphene Nanocavity: Formation of Iron Membranes, Iron Clusters, or Iron Carbides. (2017) (8)
Zr enhanced Fe, N, S co-doped carbon-based catalyst for high-efficiency oxygen reduction reaction (2022) (8)
Modulation of the Double-Helical Cores: A New Strategy for Structural Predictions of Thiolate-Protected Gold Nanoclusters. (2020) (8)
Determination of CO Adsorption Sites on Gold Clusters Au n- ( n = 21-25): A Size Region That Bridges the Pyramidal and Core-Shell Structures. (2018) (8)
Metal–Organic Frameworks Capable of Healing at Low Temperatures (2013) (8)
Towards development of a high-strength stainless Mg alloy with Al-assisted growth of passive film (2022) (8)
Cobalt-embedded in ultrahigh boron and nitrogen codoped hierarchically porous carbon nanowires as excellent catalysts toward water splitting (2022) (8)
Abnormal phase transition between two-dimensional high-density liquid crystal and low-density crystalline solid phases (2018) (8)
Electronic and transport properties of carbon and boron-nitride ferrocene nanopeapods (2014) (8)
Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties. (2018) (8)
Rational design of one-dimensional hybrid organic–inorganic perovskites with room-temperature ferroelectricity and strong piezoelectricity (2019) (7)
Anisotropic Properties of Quasi‐1D In4Se3: Mechanical Exfoliation, Electronic Transport, and Polarization‐Dependent Photoresponse (2021) (7)
REEXAMINATION OF LOW ENERGY STRUCTURES OF ${\rm Au}_{4}^{-}$ AND Au4 (2010) (7)
Monte Carlo simulation of vapor–liquid binodal of water (2002) (7)
The freezing tendency towards 4-coordinated amorphous networks causes an increase in the heat capacity of supercooled Stillinger–Weber silicon (2014) (7)
Effects of Co doping sites on the electrochemical performance of LiNi0.5Mn1.5O4 as a cathode material (2020) (7)
Ruthenium-Catalyzed Synthesis of Fused Tricyclic 1H-2,3-Dihydropyrimido[1,2-a]quinolines in One Step. (2017) (7)
Electronic structure engineering in chemically modified ultrathin ZnO nanofilms via a built-in heterointerface (2014) (7)
New Insights into the Stability of Anhydrous 2H-imidazolium Fluoride and its High Dissolution Capability toward a Strongly Hydrogen-bonded Compound. (2020) (7)
Thermal nucleation and cavitation in helium-3 fluids (1996) (7)
Hybrid atomistic-coarse-grained treatment of multiscale processes in heterogeneous materials: a self-consistent-field approach. (2006) (7)
PtCoNi Alloy Nanoclusters for Synergistic Catalytic Oxygen Reduction Reaction (2020) (7)
Bi(Sb)NCa3: Expansion of Perovskite Photovoltaics into All-Inorganic Anti-Perovskite Materials (2019) (7)
N-Sulfonyl acetylketenimine as a highly reactive intermediate for synthesis of N-Aroylsulfonamides (2019) (7)
SILICON-BASED HALF-METAL: METAL-ENCAPSULATED SILICON NANOTUBE (2007) (7)
Tiny Ni Nanoparticles Embedded in Boron- and Nitrogen-Codoped Porous Carbon Nanowires for High-Efficiency Water Splitting. (2022) (7)
RISM integral equation study of local solvation behavior of naphthalene in supercritical carbon dioxide (1996) (7)
Endohedral Silicon Fullerenes Si N (27 = N = 39) (2005) (7)
Bulk and Two-dimensional Silver and Copper Monohalides: A Unique Class of Materials with Modest Ionicity/Covalency and Novel Ferroelasticity/Multiferroicity (2019) (7)
Mechanism of the Adsorption Process: Cu2+ Adsorpted by Ramie Stalk (2015) (7)
Computer simulation of water–ice transition in hydrophobic nanopores (2001) (7)
Electronic structures and electronic spectraof all-boron fullerene B 40 (2015) (7)
The electronic and transport properties of (VBz)n@CNT and (VBz)n@BNNT nanocables (2015) (7)
Controlling Cross Section of Carbon Nanotubes via Selective Hydrogenation (2010) (7)
Gas hydrates in confined space of nanoporous materials: new frontier in gas storage technology. (2021) (6)
Solar Cells: Heterojunction‐Depleted Lead‐Free Perovskite Solar Cells with Coarse‐Grained B‐γ‐CsSnI3 Thin Films (Adv. Energy Mater. 24/2016) (2016) (6)
Correspondence: Reply to ‘On the bonding in ligand-protected gold clusters’ (2017) (6)
CONTRIBUTION OF THE CENTER-OF-MASS FLUCTUATION OF A LIQUID CLUSTER TO THE FREE ENERGY : A MONTE CARLO SIMULATION STUDY (1998) (6)
Tuning electronic structure of monolayer InP3 in contact with graphene or Ni: effect of a buffer layer and intrinsic In and P-vacancy. (2019) (6)
How O2-Binding Affects Structural Evolution of Medium Even-Sized Gold Clusters Aun- (n = 20-34). (2021) (6)
Unraveling Molecular Mechanism on Dilute Surfactant Solution Controlled Ice Recrystallization. (2020) (6)
The effective-medium approximation for the thermoelectric power of polycrystals: application to a model for La2-xMxCuO4 (1987) (6)
Two-dimensional monolayer salt nanostructures can spontaneously aggregate rather than dissolve in dilute aqueous solutions (2021) (6)
Two-dimensional dry ices with rich polymorphic and polyamorphic phase behavior (2018) (6)
Monopolar Magnetic MOF-74 with Hybrid Node Ni–Fe (2016) (6)
Tunable magnetism on Si (111 ) - (2×1 ) via chemisorption of graphene nanoribbons (2010) (6)
Unravelling the Role of Topological Defects on Catalytic Unzipping of Single-Walled Carbon Nanotubes by Single Transition Metal Atom. (2018) (6)
Electronic and transport properties of porous graphene sheets and nanoribbons: benzo-CMPs and BN codoped derivatives (2015) (6)
Some consequences of the α/β bifurcation of relaxations in supercooled liquids☆ (1994) (6)
Monte Carlo simulation of the solid to superliquid phase transition of Langmuir monolayers. II. Characteristics of phase transition (1997) (6)
Mechanistic Insight into the Reaction of Organic Acids with SO 3 at the Air–Water Interface (2019) (6)
Ring Model for Understanding How Interfacial Interaction Dictates the Structures of Protection Motifs and Gold Cores in Thiolate-Protected Gold Nanoclusters. (2020) (6)
Hybrid atomistic-coarse-grained treatment of thin-film lubrication. I. (2004) (6)
Directional Proton Transfer in the Reaction of the Simplest Criegee Intermediate with Water Involving the Formation of Transient H3O. (2021) (6)
Bulk and interfacial properties of quadrupolar fluids (2002) (5)
Coarse-grained free-energy-functional treatment of quasistatic multiscale processes in heterogeneous materials. (2005) (5)
Mechanistic study of the aqueous reaction of organic peroxides with HSO3- on the surface of a water droplet. (2021) (5)
Understanding the origin of phase segregation of nano-crystalline in a Be(x)Zn(1-x)O random alloy: a novel phase of Be(1/3)Zn(2/3)O. (2015) (5)
Molecular dynamics simulations of thermal conductivity of silicon nanotubes (2006) (5)
Frictional Anisotropy and the Role of Lattice Relaxation in Molecular Tribology of Crystalline Interfaces (1997) (5)
Ab initio computation based design of three-dimensional structures of carbon allotropes (2012) (5)
Exploration of Formation and Size-Evolution Pathways of Thiolate-Gold Nanoclusters in the CO-Directed [Au25 (SR)18 ]- Synthesis. (2020) (5)
A possible unaccounted source of atmospheric sulfate formation: amine-promoted hydrolysis and non-radical oxidation of sulfur dioxide† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c9sc04756e (2020) (5)
An equivalent circuit model for battery thermal management system using phase change material and liquid cooling coupling (2022) (5)
Exploring the lowest-energy structures of group IV tetra-aurides: XAu4 (X=C, Si, Ge, Sn) (2007) (5)
Manufacturing of Novel Continuous Nanocrystalline Ceramic Nanofibers with Superior Mechanical Properties (2003) (5)
Bulk and interfacial properties of a dipolar-quadrupolar fluid in a uniform electric field: a density-functional approach. (2003) (5)
The Boundary Condition in the Gibbs Ensemble Simulation of a Stockmayer Fluid under an Applied Field (1999) (5)
A silver-catalyzed radical ring-opening reaction of cyclopropanols with sulfonyl oxime ethers. (2020) (5)
Unraveling Crystalline Structure of High-Pressure Phase of Silicon Carbonate (2014) (5)
In-situ monitoring of dynamic behavior of catalyst materials and reaction intermediates in semiconductor catalytic processes (2022) (5)
Challenges and prospects of Mg-air batteries: a review (2022) (5)
Molecular dynamics simulation of heterogeneous nucleation on nanotubes (2015) (5)
Fundamental measure density functional theory study of liquid-vapor interface of dipolar and quadrupolar fluids. (2013) (5)
Effects of solute size on the local solvent density and solute solubility in infinitely dilute supercritical solutions (1996) (5)
Covalent reinforcement of hydrogen-bonded discs into stably folded helical structures. (2011) (5)
Correction to "Tailoring Passivation Molecular Structures for Extremely Small Open-Circuit Voltage Loss in Perovskite Solar Cells". (2020) (5)
Mechanistic study of pressure and temperature dependent structural changes in reactive formation of silicon carbonate (2016) (5)
Investigation of anodized Ta/Ag coating on magnesium bipolar plate for lightweight proton exchange membrane fuel cells (2022) (5)
A novel Chinese parasol leaf biochar fuelled direct carbon solid oxide fuel cell for high performance electricity generation (2021) (5)
Effects of Radical Site Location and Surface Doping on the Radical Chain-reaction on H−Si(100)-(2 × 1): A Density Functional Theory Study (2008) (4)
Solvent-induced interactions between hydrophobic and hydrophilic polyatomic sheets in water and hypothetical nonpolar water (1997) (4)
Vanadium Nitride Supported on N-Doped Carbon as High-Performance ORR Catalysts for Zn–Air Batteries (2022) (4)
Peroxo Species Formed in the Bulk of Silicate Cathodes (2021) (4)
AgBiS2 as a low-cost and eco-friendly all-inorganic photovoltaic material: nanoscale morphology–property relationship (2019) (4)
A general two-step one-pot synthesis process of ynones from α-keto acids and 1-iodoalkynes. (2018) (4)
Advanced Nonflammable Organic Electrolyte Promises Safer Li‐Metal Batteries: From Solvation Structure Perspectives (2022) (4)
Formation of Oxygen Vacancies on the {010} Facets of BiOCl and Visible Light Activity for Degradation of Ciprofloxacin (2018) (4)
Role of vacancies to p-type semiconducting properties of SiGe nanowires (2014) (4)
Photodetectors: High‐Gain and Low‐Driving‐Voltage Photodetectors Based on Organolead Triiodide Perovskites (Adv. Mater. 11/2015) (2015) (4)
Effects of the co-solvent energy parameter and dipolar strength on solute residual chemical potential (1997) (4)
Calculation of the surface tension of liquid metals using a one-component-plasma reference system (1987) (4)
Chiral Au22(SR)17-: a new ligand-binding strategy for structural prediction of thiolate-protected gold nanocluster. (2020) (4)
Reaction mechanism between small-sized Ce clusters and water molecules: an ab initio investigation on Cen + H2O. (2019) (4)
General Synthesis of α-Alkyl Ynones from Morpholine Amides and 1-Copper(I) Alkynes Promoted by Triflic Anhydride. (2020) (4)
Icosahedral B 12-containing core – shell structures of B 80 (2017) (4)
Heterogeneous Reactions of SO3 on Ice: An Overlooked Sink for SO3 Depletion. (2020) (4)
Publisher Correction: A universal principle for a rational design of single-atom electrocatalysts (2018) (4)
Experimental and theoretical studies of hydroxyl-induced magnetism in TiO nanoclusters. (2012) (4)
Bubble nucleation in confined liquids: Molecular dynamics study (2000) (4)
Multiscale treatment of thin-film lubrication (2005) (4)
InBi: A Ferroelastic Monolayer with Strain Tunable Spin-Orbit Dirac Points and Carrier Self-Doping Effect. (2022) (3)
A four-step tandem synthesis of 3,5-diaroyl-4-arylpyrazoles from 1,3-diaryl-propane-1,3-diketones (2017) (3)
K2S2O8-mediated regio- and stereo-selective thiocyanation of enamides with NH4SCN. (2021) (3)
Highly soluble organic nitrate additives for practical lithium metal batteries (2022) (3)
Two‐Dimensional Perovskites with Tunable Room‐Temperature Phosphorescence (2022) (3)
Formation of porous ice frameworks at room temperature (2021) (3)
Understanding Liquid–Solid-Like Behavior of Tetrahydrofuran Adlayers at Room Temperature between Graphene and Mica: A Born–Oppenheimer Molecular Dynamics Study (2013) (3)
Comment on Dual-Hard-Sphere Models for Liquid Semiconductors Si And Ge (1989) (3)
Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations (2016) (3)
Possible Lowest‐Energy Geometry of Silicon Clusters Si21 and Si25. (2004) (3)
Evidence of hollow golden cages: Supplementary Materials and Supporting Information (2006) (3)
Nonlinear effects of physisorption on static friction (2000) (3)
Imaging point defects in a liquid environment: A model AFM study (1999) (3)
Iron Clusters Embedded in Graphene Nanocavities: Heat-Induced Structural Evolution and Catalytic C–C Bond Breaking (2019) (3)
Role of hysteresis in the molecular picture of friction (2001) (3)
Structure transition of Au18 from pyramidal to a hollow-cage during soft-landing onto a TiO2(110) surface. (2015) (3)
Tunable Bandgaps: Simulation Evidence of Hexagonal‐to‐Tetragonal ZnSe Structure Transition: A Monolayer Material with a Wide‐Range Tunable Direct Bandgap (Adv. Sci. 12/2015) (2015) (3)
The Formation of Homogenous FAPbI3‒CsSnI3 Alloys for Efficient, Ideal-Bandgap Perovskite Solar Cells (2017) (3)
Simulation and experimental studies on the evolution of a laser spark in air (1992) (3)
Large-Sized Aun- Core-Shell Clusters (n = 61-66): Enduring Structure of the Icosahedral Au13 Core. (2022) (2)
High-resolution characterization of the fretting corrosion of Alloy 690 in the simulated secondary water of pressurized water reactor (2023) (2)
Domain Wall Conduction in Calcium-Modified Lead Titanate for Polarization Tunable Photovoltaic Devices (2020) (2)
Criegee intermediate inside fullerene cage: Evidence for size-dependent reactivity. (2018) (2)
Hydroxyl-decorated Graphene Systems: Organic metal-free Ferroelectrics, Multiferroics, and Proton battery Cathode Materials (2013) (2)
FEA of pipeline magnetic flux leakage NDE (2009) (2)
Embedded silicene nanostructures in partly-dehydrogenated polysilane. (2017) (2)
Enantioselective Desymmetrization via Carbonyl‐Directed Catalytic Asymmetric Hydroboration and Suzuki—Miyaura Cross‐Coupling. (2015) (2)
Surprising impact of remote groups on the folding--unfolding and dimer-chain equilibria of bifunctional H-bonding unimers. (2016) (2)
High Gain and Low-Driving-Voltage Photodetectors Enabled by Organolead Triiodide Perovskites (2015) (2)
Critical resolved shear stresses for slip and twinning in Mg-Y-Ca alloys and their effect on the ductility (2023) (2)
A novel aminoalkyl-decyanation of 4-pyridinecarbonitrile with imines: A facile selective synthesis of 4-pyridinemethanamines (1996) (2)
Staggered and eclipsed conformations of C2F6: A systematic ab initio study (1997) (2)
Graphene‐Based Architecture and Assemblies (2013) (2)
Molecular dynamics simulation of heterogeneous nucleation on nanorods (2013) (2)
Crystal–melt surface widths of simple liquids and an empirical law of freezing. II (1989) (2)
Boron-nitride and aluminum-nitride "Pringles" and flapping motion. (2014) (2)
Self-setting kinetics of new type calcium phosphate bioactive bone cement: a thermokinetics study. (2003) (2)
A Numerical Study on Heat Transfer Characteristics of a Novel Rectangular Grooved Microchannel with Al2O3/Water Nanofluids (2022) (2)
Multiscale simulation of thin-film lubrication: free-energy-corrected coarse graining. (2014) (2)
Structures and Stabilities of Small Silicon Cluster: High-Level Ab initio Calculations of Si6 (2005) (2)
Beneficial impact of incorporating spinel lithium manganate and samarium oxide into high performance positive materials through ultrasonic cavitation strategy (2022) (2)
Electrochemical Oxidative Trifluoromethylation of α-Oxoketene Ketene Dithioacetals with CF3SO2Na (2022) (2)
Reaction mechanism between small-sized Ce clusters and water molecules II: an ab initio investigation on Cen (n = 1-3) + mH2O (m = 2-6). (2019) (2)
Revealing the weak work-hardening behavior in aged Mg–RE alloys: A synchrotron radiation diffraction study (2023) (2)
Multiscale simulation on shearing transitions of thin-film lubrication with multi-layer molecules (2017) (2)
γ‐Selective Directed Catalytic Asymmetric Hydroboration of 1,1‐Disubstituted Alkenes. (2013) (2)
Mild and Controllable Solid Electrolyte Interphase Formation for High-Voltage Lithium Metal Batteries in a Wide-Temperature Range from -40 °C to 80 °C (2022) (2)
Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism. (2022) (2)
Anomalous Phase Behaviors of Monolayer NaCl Aqueous Solutions Induced by Effective Coulombic Interactions within Angstrom-Scale Slits. (2022) (2)
A Multi-indicator Customer Segmentation Method Based on Consuming Behaviors Analysis (2015) (1)
Method To Implement Interaction Surfaces with Virtual Companion Particles for Molecular Dynamics Simulations (2019) (1)
Constructing Stable and Potentially High-Performance Hybrid Organic-Inorganic Perovskites with “Unstable” Cations (2020) (1)
Mechanistic Study of the Aqueous Reaction of Organic Peroxides with HSO 3 − on the Surface of a Water Droplet (2021) (1)
Multiturn Hollow Helices: Synthesis and Folding of Long Aromatic Oligoamides. (2020) (1)
Doping the Golden Cage Au16- with Si, Ge, and Sn. (2008) (1)
Cof-C4n Nanosheets with Uniformly Anchored Single Metal Sites for Electrocatalytic Oer: From Theoretical Screening to Target Synthesis (2022) (1)
Correction: Co-mixing hydrogen and methane may double the energy storage capacity (2018) (1)
Perovskite Solar Cells: Stable Formamidinium-Based Perovskite Solar Cells via In Situ Grain Encapsulation (Adv. Energy Mater. 22/2018) (2018) (1)
SOLUTE-SOLVENT SIZE RATIO DEPENDENCE OF THE SOLUTE RESIDUAL CHEMICAL POTENTIAL IN SUBCRITICAL SOLVENTS (1997) (1)
Efficient electron and hole doping in compositionally abrupt Si/Ge nanowires. (2013) (1)
Numerical study of optical absorption in two-dimensional metal-insulator and normal-superconductor composites☆ (1989) (1)
Hybrid nanobud-array structures (C24)n/MoS2 and (C24V)n/MoS2: two-dimensional half metallic and ferromagnetic materials (2018) (1)
Polysilane-Wrapped Carbon and Boron-Nitride Nanotubes: Effects of B or P Doping on Electron Transport (2016) (1)
Exohedral Silicon Fullerenes: Si60Pn60 and Si80Pn60 (Pn = P, As, Sb and Bi) (2011) (1)
Doping Golden Buckyballs : Cu (2007) (1)
Gold-Caged Metal Clusters with Large HOMO—LUMO Gap and High Electron Affinity. (2006) (1)
Atomistic modeling of the tensile behavior of monoclinic ZrO2 bicrystal (2010) (1)
Anomalous water transport in narrow-diameter carbon nanotubes (2022) (1)
Mechanical Properties of Nanostructured Hard Coating of ZrO 2 (2009) (1)
Solar Cells: Two‐Dimensional Single‐Layer Organic–Inorganic Hybrid Perovskite Semiconductors (Adv. Energy Mater. 7/2017) (2017) (1)
Structural and Electronic Properties of Binary Clusters SimGen (m + n = 6-13). (2019) (1)
Communication: Interaction of BrO radical with the surface of water. (2016) (1)
A New Class of Bifunctional Perovskites BaMX4 (M = Co, Ni, Fe, Mn; X = F, Cl, Br, I): An n-Type Semiconductor with Combined Multiferroic and Photovoltaic Properties (2019) (1)
Study of hydrophillic interactions between polyatomic sheets in water (1998) (1)
Solute-solvent size ratio dependence of the solute residual chemical RESEARCH NOTE potential in subcritical solvents (1997) (1)
Continuous and First-Order Liquid-Solid Phase Transitions in Two-Dimensional Water. (2022) (1)
Medium-sized double magic metal clusters: Al@Cu(54) (-) and Al@Ag(54) (-). (2008) (1)
Formation of dimethyl carbonate via direct esterification of CO2 with methanol on reduced or stoichiometric CeO2(111) and (110) surfaces. (2021) (1)
Van der Waals Magnetic Heterojunctions with Giant Zero‐Bias Tunneling Magnetoresistance and Photo‐Assisted Magnetic Memory (2022) (1)
Evidence of Formation of Monolayer Hydrated Salts in Nanopores. (2022) (1)
Rich topologies of monolayer ices via unconventional electrowetting. (2020) (1)
Solvation and Hydrolysis Reaction of Isocyanic Acid at the Air-Water Interface: A Computational Study. (2022) (1)
First-principles study of methane dehydrogenation on a bimetallic Cu/N(111) surface (2017) (1)
Yb(OTf)3-Mediated Regioselective Hydroamination of Ynamides with Anilines and p-Toluenesulfonamide (2021) (1)
A droplet-based electricity generator with high instantaneous power density (2020) (1)
An environmentally friendly and low-cost catalyst for Li–CO2 batteries based on Co recovered from waste lithium-ion batteries (2022) (1)
Hybrid atomistic-coarse-grained treatment of thin-film lubrication. II. (2004) (1)
Scaling laws considering thermal radiation influence for spherical pinch experiments (1994) (1)
Study of influences on the direct electrolysis of silica in molten salt: particle size, temperature, time and voltage (2022) (1)
Research status and perspectives of rechargeable Li-CO2 battery (2021) (1)
Simple preparation of nano-anatase titanium dioxide from cold rolled titanic acid waste liquid (2021) (1)
CSCO Criterion for Entanglement and Heisenberg Uncertainty Principle (2013) (1)
A Flexible Li-Co2 Batteries with Enhanced Cycling Stability Enabled by a Iro2/Carbon Fiber Self-Standing Cathode (2023) (1)
Flower-like three-dimensional bifunctional cathode catalyst for high-performance Li–O2 batteries: ZIF-67@3D-N/rGO (2021) (1)
FeZrRu Trimetallic bifunctional oxygen electrocatalysts for rechargeable Zn-air batteries (2022) (1)
Investigate the role of V in the Nitrogen-doped hierarchical porous carbon-supported binary transition metal nitrides catalyst for oxygen reduction reactions (2022) (1)
Facile synthesis of Zn-doped Bi(OH)3 with upward surface band bending and its enhanced visible light photocatalytic activity (2020) (1)
A Critical Review on Geometric Improvements for Heat Transfer Augmentation of Microchannels (2022) (1)
N,N'-Disulfonylhydrazides: A Novel Source of Sulfonyl Moieties for Synthesis of Diaryl Sulfones (2021) (1)
MgXN2 (X = Hf/Zr) Monolayers: Auxetic Semiconductor with Highly Anisotropic Optical/Mechanical Properties and Carrier Mobility. (2022) (1)
A Metal‐Free Multicomponent Cascade Reaction for the Regiospecific Synthesis of 1,5‐Disubstituted 1,2,3‐Triazoles. (2014) (1)
Synthesis of 1,3-dioxo-substituted allenes via copper(I)-catalyzed coupling of α-oxo-alkynes and α-oxo-diazos by controlling the sequence of adding substrates (2019) (1)
Understanding the excellent corrosion resistance of Fe-12Cr ODS alloys with and without Si in supercritical CO2 through advanced characterization (2022) (1)
Regulating corrosion resistance of Mg alloys via promoting precipitation with trace Zr alloying (2023) (1)
Phase equilibria of long-period stacking ordered phase in the ternary Mg-Y-Al alloys (2022) (1)
Defective Organic Cations and Their in-Framework Dynamics on Properties of ASnI3 (A = FA or MA) Perovskites: Why FA Yield Higher Photovoltaic Performance than MA. (2023) (0)
Abnormal phase transition between two-dimensional high-density liquid crystal and low-density crystalline solid phases (2018) (0)
Metal–Organic Frameworks: Metal–Organic Frameworks Capable of Healing at Low Temperatures (Adv. Mater. 42/2013) (2013) (0)
Erratum: Creating nanocavities of tunable sizes: Hollow helices (Proceedings of the National Academy of Sciences of the United States of America (September 3, 2002) 99:18 (11583-11588)) (2002) (0)
Non-uniquely defined ground states of a neutral and anionic gold cluster and methods for generating stationary point databases (2014) (0)
Erratum: Search for lowest-energy fullerenes: C98 to C 110 (Journal of Physical Chemistry A (2006) 110A (7672)) (2006) (0)
Green Diamond: A Superhard Boron Carbonitride with Bandgap in Green-Light Region and Anisotropic High Carrier Mobilities. (2023) (0)
A Novel Aminoalkyl-Decyanation of 4-Pyridinecarbonitrile with Imines: A Facile Selective Synthesis of 4-Pyridinemethanamines. (1996) (0)
Homogeneous connectivity of potential energy network in a solidlike state of water cluster. (2013) (0)
DigitalCommons@University of Nebraska - Lincoln DigitalCommons@University of Nebraska - Lincoln Formation of Ordered Ice Nanotubes Inside Carbon Nanotubes Formation of Ordered Ice Nanotubes Inside Carbon Nanotubes (2019) (0)
Simulation of temperature distribution on a spherical target during plasma immersion ion implantation (2000) (0)
Au42: An Alternative Icosahedral Golden Fullerene Cage (2005) (0)
Erratum: Aromatic oligoamide macrocycles from the bimolecular coupling of folded oligomeric precursors (New Journal of Chemistry (2009) 33 (729) DOI: b902495f) (2009) (0)
Phosphorenes with Non-Honeycomb Structures: A Much Extended Family (2016) (0)
Bulk and interfacial properties of quadrupolar fluids Bulk and interfacial properties of quadrupolar fluids (2019) (0)
Nucleation of water and methanol droplets on ions: The sign preference (2001) (0)
On the phase diagram of water with density functional theory potentials: The melting temperature of ice /h with the Perdewâ•fiBurkeâ•fiErnzerhof and Beckeâ•fiLeeâ•fiYangâ•fiParr functionals (2019) (0)
One-pot synthesis of 3-trifluoromethylbenzo[b][1,4]oxazines from CF3-imidoyl sulfoxonium ylides with 2-bromophenols. (2022) (0)
The effect of structural and energetic parameters of MOFs and COFs towards the improvement of their hydrogen storage properties (2016) (0)
Multiple Wetting–Dewetting States of a Water Droplet on Dual-Scale Hierarchical Structured Surfaces (2021) (0)
Photocatalytic Oxidation of NO2 on TiO2: Evidence of a New Source of N2O5. (2023) (0)
Electrochemical oxidative regio- and stereo-selective thio(seleno)cyanation of enamides and mechanistic insights (2022) (0)
Evidence of Formation of 1-10 nm Diameter Ice Nanotubes in Double-Walled Carbon Nanotube Capillaries. (2023) (0)
Iodine pentoxide-mediated oxidative selenation and seleno/thiocyanation of electron-rich arenes. (2022) (0)
Study on the Regional Postgraduate Education Performances in China (2016) (0)
C3NR03167E 9264..9276 (2013) (0)
Electrochemical sulfonylation of enamides with sodium sulfinates to access β-amidovinyl sulfones. (2021) (0)
Catalytic CO2 Capture via Ultrasonically Activating Dually Functionalized Carbon Nanotubes. (2023) (0)
Nanoporous ices: an emerging class in the water/ice family. (2022) (0)
Resolving Interface Barrier Deviation from the Schottky-Mott Rule: A Mitigation Strategy via Engineering MoS2-Metal van der Waals Contact. (2023) (0)
Simple Visualization of Universal Ferroelastic Domain Walls in Lead Halide Perovskites (2022) (0)
Electronic structures of defective BN nanotubes under transverse electric fields (2008) (0)
iate-hydrogen sul fi de chemistry at the air / water interface † (2017) (0)
Recent Advances in the Electrochemical Functionalization of Isocyanides (2022) (0)
Metallic surface doping of metal halide perovskites (2021) (0)
Topics in the Physics of Two-Phase Systems (1989) (0)
Transition-metal-free synthesis of tetra-substituted vinyl iodides by cascade sequential reaction of α-keto acids, 1-iodoalkynes, and alkyl halides. (2022) (0)
Magnetism in bimetallic PtxNiN−x clusters via cross-atomic coupling (2019) (0)
Calculated Properties of B$_{10}$C$_2$ Clusters (2005) (0)
Innentitelbild: Peroxo Species Formed in the Bulk of Silicate Cathodes (Angew. Chem. 18/2021) (2021) (0)
Effect of Dimensionality on the Temperature Dependence of Rate of Nucleation (1996) (0)
Molecular dynamics simulation of vapor condensation on nanotubes (2013) (0)
Regulation of Oxygen Vacancies and Electronic Structures by Substituting Ba2+ at A-Sites of Lani0.5mn0.5o3 Double Perovskites Enabling High-Performance Catalysts for Mg-Air Batteries (2023) (0)
Atomic imaging of the edge structure and growth of a two-dimensional hexagonal ice (2020) (0)
Correlation effects and electronic structure of Gd (2018) (0)
Low-Temperature Working Feasibility of Zinc-Air Batteries with Noble-Metal-Free Electrocatalysts (2023) (0)
Kagome-like lattice of p – p stacked 3-hydroxyphenalenone on Cu ( 111 ) † (2014) (0)
Theoretical investigation on low-dimensional hydrate (2016) (0)
Nickel Catalyzed Transfer Hydrogenation of Unactivated Aryl Alkenes with Hydrosilane as Hydrogen Source (2022) (0)
A study on the high-temperature oxidation of ZM6 alloy through advanced characterization (2023) (0)
Revealing the Weak Work-Hardening Behavior in Aged Mg-Re Alloys: A Synchrotron Radiation Study (2022) (0)
Multicanonical Molecular Dynamics Simulation Study of the Liquid-Solid and Solid-Solid Transitions in Lennard-Jones Clusters (2011) (0)
Back Cover Image, Volume 4, Number 1, January 2022 (2022) (0)
Hierarchical porous VN/NC/C nanocomposites with synergistic coupling for oxygen reduction (2023) (0)
Palladium‐Catalyzed Oxidative Cross‐Coupling of N‐Tosylhydrazones with Indoles: Synthesis of N‐Vinylindoles. (2013) (0)
Coordinatively Unsaturated Reduced Iron Sites Enable Hemin-Catalyzed Electrochemical Dechlorination of Trichloroethylene (2022) (0)
of Nebraska - Lincoln Evidence of hollow golden cages Evidence of hollow golden cages (2019) (0)
Modulating the structure of iron-doped titanium nitride deposited on nitrogen-doped carbon catalyst for the oxygen reduction reaction in Zn-air battery (2022) (0)
Multi-doped carbon derived from notoginseng as a high-performance catalyst for oxygen reduction (2021) (0)
Electron density, geometric structure and vibration spectra of endohedral M$_{1-3}$\@C$_{60}$ (M = Mn, Co, Fe, Gd) metallofullerenes (2006) (0)
Dual Catalytic Sites of Alloying Effect Bloom CO 2 Catalytic Conversion for Highly Stable Li–CO 2 Battery (2023) (0)
Corrosion Inhibition Effects of Corrosion Products on High-purity Mg and AZ91D under Thin Electrolyte Layers (2022) (0)
Suppressing the Mn dissolution in LiMn2O4 positive materials toward long-life lithium ion battery through Gd2O3 surface modification (2022) (0)
Binding crystalline solids at low temperatures (2013) (0)
Comparative study of corrosion behaviors of die cast LA42 and AZ91 alloys (2022) (0)
Co2P Nanoparticles Encapsulated in N-Doped Carbon Nanotubes as a Bifunctional Oxygen Catalyst for a High-Performance Rechargeable Zn–Air Battery (2023) (0)
Correction: Surprising impact of remote groups on the folding-unfolding and dimer-chain equilibria of bifunctional H-bonding unimers. (2016) (0)
A Vanadium-doped La0.5Sr0.5FeO3-δ Perovskite as a Promising Anode of Direct Carbon Solid Oxide Fuel Cells for Brown Coal Utilization (2022) (0)
Statistical Thermodynamic Treatment of the AFM Tip in Liquid (1998) (0)
Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram (2019) (0)
BF3·Et2O-Mediated annulation of α-keto acids with aliphatic ketones for the synthesis of γ-hydroxy-butenolides and γ-alkylidene-butenolides (2022) (0)
A universal design of turn-on fluorescent aptasensor based on luminescent MOFs: Application for the detection of bisphenol A in water, milk and chicken samples. (2023) (0)
Inside Cover: Peroxo Species Formed in the Bulk of Silicate Cathodes (Angew. Chem. Int. Ed. 18/2021) (2021) (0)
Formation of Epitaxial Heavy-doped Silicon Films by PECVD Method (2018) (0)
Relative Stability of Pentagon and Hexagon Ice Nanotubes (2002) (0)
Electrochemical Corrosion Behavior of Mg-Al Alloy with Micro-Alloying of Yttrium in a Chloride Solution (2022) (0)
Theoretical optical absorption and photoelectron spectra of small endohedral gold clusters (2009) (0)
Corrosion-Resistant and Conductive A-C/Ta/Cu Coated Magnesium as Bipolar Plates for Ultra-Lightweight Proton Exchange Membrane Fuel Cells (2023) (0)
An Organic Polymer with a Bifunctional Electrocatalytic Activity in Oxygen Reactions (2020) (0)
Highly anisotropic and ultra-diffusive vacancies in α-antimonene. (2023) (0)
Phase diagrams of confined solutions of dimyristoylphosphatidylcholine (DMPC) lipid and cholesterol in nanotubes (2012) (0)
Quantitative Prediction of Aggregation‐Induced Emission: A Full Quantum Mechanical Approach to the Optical Spectra (2020) (0)
Electronic structure of catalytically active gold clusters supported on cerium oxide (2013) (0)
Correspondence: Reply to ‘On the bonding in ligand-protected gold clusters’ (2017) (0)
Flexible solid-solid phase change materials with high stability for thermal management (2023) (0)
embryo of single-walled boron nanotubes as the 20 From the Cover : Planar-to-tubular structural transition in boron clusters : B (2005) (0)
Interaction-Induced Spectra as a Tool for the Study of Structure in Supercooled Liquids and Glasses (1995) (0)
Efficient synthesis and conformational investigations of cis-pentacenediols (2010) (0)
MD simulation of heterogeneous vapor nucleation on a solid surface (2001) (0)
Two-Dimensional GeC2 with Tunable Electronic and Carrier Transport Properties and a High Current ON/OFF Ratio. (2021) (0)
Electronic Properties of XB6 rods: a theoretical study (2008) (0)
Novel recyclable composite BiOBr/chitin-Fe3O4 with enhanced visible-light photocatalytic degradation of the antibacterial agent ciprofloxacin (2023) (0)
Back Cover: Homogenous Alloys of Formamidinium Lead Triiodide and Cesium Tin Triiodide for Efficient Ideal‐Bandgap Perovskite Solar Cells (Angew. Chem. Int. Ed. 41/2017) (2017) (0)
Electronic and magnetic properties of endohedrally doped fullerene Mn@C$_{60}$: An all electron theoretical study (2007) (0)
Electronic Supplemental Information Ferroelectric hexagonal and rhombic monolayer ices (2014) (0)
Ruthenium-catalyzed acceptorless dehydrogenative coupling of amino alcohols and ynones to access 3-acylpyrroles. (2022) (0)
Doping Golden Buckyballs: Cu@Au16‐ and Cu@Au17‐ Cluster Anions. (2007) (0)
New Phase Diagram of Water under Negative Pressure: Rise of The Lowest-Density Ice Clathrates (2018) (0)
Highly stable and efficient all-inorganic lead-free perovskite solar cells with native-oxide passivation (2019) (0)
Aggregation modes of bottom-up synthesized graphene nanoribbons (2014) (0)
Self-assembly of non-metallated tetraphenyl porphyrin molecules on noble metal substrates (2010) (0)
Gas-liquid nucleation in partially miscible systems: Free energy surface from computer simulation (2001) (0)
Effects of molecular size and combination rule on local composition (1996) (0)
The origin of different morphology of internal oxide precipitates in ferritic and austenitic steels (2023) (0)
Issue information (2019) (0)
Density Functional Mean Field Theory Of Crystal-Melt Interfaces (1989) (0)
Erratum: Surprising impact of remote groups on the folding-unfolding and dimer-chain equilibria of bifunctional H-bonding unimers (Chem. Commun. (2016) 52 (3773-3776) DOI: 10.1039/c6cc90142e) (2016) (0)
Effect of the temperature on the dynamic behaviour of superheated superconducting granules (1990) (0)
Syn the sis, Char ac ter iza tion and Fer ro mag netic In ter ac tion in μ-Oxamido Cu(II)-Cr(III) Heterodinuclear Com plexes (2000) (0)
Understanding the Origin of Phase Segregation of Nano-Crystalline in BexZn1-xO Random Alloy: A Novel Phase of Be1/3Zn2/3O (2015) (0)
Electronic properties of 1D LaB$_{6}$ rods (2007) (0)
Rücktitelbild: Homogenous Alloys of Formamidinium Lead Triiodide and Cesium Tin Triiodide for Efficient Ideal‐Bandgap Perovskite Solar Cells (Angew. Chem. 41/2017) (2017) (0)
A Novel Hydroxyalkyl‐decyanation of 4‐Pyridinecarbonitrile: A Facile Selective Synthesis of 4‐Pyridinemethanols. (1996) (0)
Endohedral silicon fullerenes sinN (27 < or = N < or = 39). (2004) (0)
Au7-: A fluxional catalyst for CO oxidation (2011) (0)
Large magnetic anisotropy in chemically engineered iridium dimer (2018) (0)
Gas Bubbles and Gas Pancakes at Liquid/Solid Interface: A Continuum Theory Incorporated with Molecul (2006) (0)
Frontispiece: Surprising Stability of Larger Criegee Intermediates on Aqueous Interfaces (2017) (0)
Monolayered semiconducting GeAsSe and SnSbTe with ultrahigh hole mobility (2018) (0)
Record High Magnetic Anisotropy in Chemically Engineered Iridium Dimer (2017) (0)
Fretting wear-induced sudden loss of corrosion resistance in a corrosion-resistant Ni-based alloy (2023) (0)

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What Schools Are Affiliated With Xiao Cheng Zeng?

Xiao Cheng Zeng is affiliated with the following schools:

Peking University
Beijing University of Chemical Technology
Brown University
University of California, Berkeley
University at Buffalo
University of Science and Technology of China
Washington State University
City University of Hong Kong
Nanjing University
Keio University
Sichuan University
University of Nebraska–Lincoln

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