Manos Mavrikakis
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Manos Mavrikakischemistry Degrees
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Chemistry
Manos Mavrikakis's Degrees
- PhD Chemical Engineering University of California, Berkeley
- Masters Chemical Engineering University of California, Berkeley
Why Is Manos Mavrikakis Influential?
(Suggest an Edit or Addition)According to Wikipedia, Manos Mavrikakis is a Greek–American chemical engineer. He is the Paul A. Elfers Professor and the Vilas Distinguished Achievement Professor of Chemical Engineering at the University of Wisconsin–Madison. Mavrikakis is an elected Fellow of the American Association for the Advancement of Science, American Physical Society, and American Vacuum Society.
Manos Mavrikakis'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
- Highly Crystalline Multimetallic Nanoframes with Three-Dimensional Electrocatalytic Surfaces (2014) (2083)
- Effect of Strain on the Reactivity of Metal Surfaces (1998) (1582)
- Ru-Pt core-shell nanoparticles for preferential oxidation of carbon monoxide in hydrogen. (2008) (1077)
- On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation (2004) (1021)
- Universality in Heterogeneous Catalysis (2002) (1014)
- Controlling the catalytic activity of platinum-monolayer electrocatalysts for oxygen reduction with different substrates. (2005) (996)
- Alloy catalysts designed from first principles (2004) (900)
- Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation (2011) (843)
- Electronic structure and catalysis on metal surfaces. (2002) (808)
- On the mechanism of low-temperature water gas shift reaction on copper. (2008) (762)
- Platinum Monolayer Fuel Cell Electrocatalysts (2007) (758)
- Platinum-based nanocages with subnanometer-thick walls and well-defined, controllable facets (2015) (720)
- Alkali-Stabilized Pt-OHx Species Catalyze Low-Temperature Water-Gas Shift Reactions (2010) (553)
- Adsorption and dissociation of O2 on Pt-Co and Pt-Fe alloys. (2004) (543)
- Making gold less noble (2000) (537)
- Mixed-metal pt monolayer electrocatalysts for enhanced oxygen reduction kinetics. (2005) (503)
- Catalytically active Au-O(OH)x- species stabilized by alkali ions on zeolites and mesoporous oxides (2014) (470)
- CO activation pathways and the mechanism of Fischer–Tropsch synthesis (2010) (455)
- Mechanism of the Water Gas Shift Reaction on Pt: First Principles, Experiments, and Microkinetic Modeling (2008) (414)
- Palladium–platinum core-shell icosahedra with substantially enhanced activity and durability towards oxygen reduction (2015) (396)
- Atomic layer-by-layer deposition of Pt on Pd nanocubes for catalysts with enhanced activity and durability toward oxygen reduction. (2014) (392)
- Competitive paths for methanol decomposition on Pt(111). (2004) (357)
- Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study (2012) (335)
- Surface and subsurface hydrogen: adsorption properties on transition metals and near-surface alloys. (2005) (308)
- Oxygenate reaction pathways on transition metal surfaces (1998) (296)
- A first-principles study of methanol decomposition on Pt(111). (2002) (292)
- Adsorption and Dissociation of O2 on Gold Surfaces: Effect of Steps and Strain (2003) (272)
- Modeling ethanol decomposition on transition metals: a combined application of scaling and Brønsted-Evans-Polanyi relations. (2009) (258)
- DFT studies for cleavage of C$z.sbnd;C and C$z.sbnd;O bonds in surface species derived from ethanol on Pt(111) (2003) (248)
- Preferential CO oxidation in hydrogen: reactivity of core-shell nanoparticles. (2010) (242)
- Platinum Monolayer Electrocatalysts for Oxygen Reduction (2007) (222)
- Water-Mediated Proton Hopping on an Iron Oxide Surface (2012) (216)
- Trends in low-temperature water–gas shift reactivity on transition metals (2005) (213)
- Why Au and Cu Are More Selective Than Pt for Preferential Oxidation of CO at Low Temperature (2004) (212)
- Improving electrocatalysts for O(2) reduction by fine-tuning the Pt-support interaction: Pt monolayer on the surfaces of a Pd(3)Fe(111) single-crystal alloy. (2009) (204)
- A Cu/Pt near-surface alloy for water-gas shift catalysis. (2007) (203)
- Bimetallic and Ternary Alloys for Improved Oxygen Reduction Catalysis (2007) (198)
- Molecular-level descriptions of surface chemistry in kinetic models using density functional theory (2004) (191)
- Improved oxygen reduction reactivity of platinum monolayers on transition metal surfaces (2008) (189)
- Atomic layer-by-layer deposition of platinum on palladium octahedra for enhanced catalysts toward the oxygen reduction reaction. (2015) (182)
- Structure sensitivity of methanol electrooxidation on transition metals. (2009) (179)
- Partial and complete reduction of O2 by hydrogen on transition metal surfaces (2010) (176)
- Bismuthene for highly efficient carbon dioxide electroreduction reaction (2020) (174)
- Atomic and molecular adsorption on Rh(111) (2002) (172)
- Direct time-domain observation of attosecond final-state lifetimes in photoemission from solids (2016) (169)
- Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory study (2014) (169)
- Methanol Decomposition on Cu(111): A DFT Study (2002) (161)
- Reactivity descriptors for direct methanol fuel cell anode catalysts (2008) (160)
- Stabilization of copper catalysts for liquid-phase reactions by atomic layer deposition. (2013) (156)
- Atomic and molecular adsorption on Pd(111) (2005) (153)
- Adsorption and dissociation of O2 on Cu(111): thermochemistry, reaction barrier and the effect of strain (2001) (147)
- Bifunctional anode catalysts for direct methanol fuel cells (2012) (143)
- Prediction of Experimental Methanol Decomposition Rates on Platinum from First Principles (2006) (139)
- A first-principles study of surface and subsurface H on and in Ni(111): diffusional properties and coverage-dependent behavior (2003) (138)
- Near-surface alloys for hydrogen fuel cell applications (2006) (137)
- Synthesis and Characterization of Pt-Ag Alloy Nanocages with Enhanced Activity and Durability toward Oxygen Reduction. (2016) (136)
- Structure Sensitivity of CO Dissociation on Rh Surfaces (2002) (135)
- Active sites and mechanisms for H2O2 decomposition over Pd catalysts (2016) (133)
- Effect of subsurface oxygen on the reactivity of the Ag(111) surface. (2005) (131)
- Atomic and molecular adsorption on Ir(111) (2004) (127)
- Tuning the Catalytic Activity of Ru@Pt Core-Shell Nanoparticles for the Oxygen Reduction Reaction by Varying the Shell Thickness (2013) (125)
- Facile synthesis of palladium right bipyramids and their use as seeds for overgrowth and as catalysts for formic acid oxidation. (2013) (123)
- CO2 Hydrogenation to Formic Acid on Ni(111) (2012) (121)
- Kinetically Relevant Steps and H2/D2 Isotope Effects in Fischer−Tropsch Synthesis on Fe and Co Catalysts (2010) (111)
- A simple rule of thumb for diffusion on transition-metal surfaces. (2006) (107)
- First Synthesis, Experimental and Theoretical Vibrational Spectra of an Oxametallacycle on a Metal Surface (1998) (102)
- A Comprehensive Study of Formic Acid Oxidation on Palladium Nanocrystals with Different Types of Facets and Twin Defects (2015) (96)
- Computational Methods in Heterogeneous Catalysis. (2020) (96)
- Catalytic Activity of Platinum Monolayer on Iridium and Rhenium Alloy Nanoparticles for the Oxygen Reduction Reaction (2012) (96)
- Electrocatalytic Oxidation of Ammonia on Transition-Metal Surfaces: A First-Principles Study (2015) (94)
- Microkinetic analysis and mechanism of the water gas shift reaction over copper catalysts (2011) (91)
- Formic acid decomposition on Au catalysts: DFT, microkinetic modeling, and reaction kinetics experiments (2014) (89)
- Surface segregation energies in low-index open surfaces of bimetallic transition metal alloys (2009) (88)
- Synthesis and Characterization of Ru Cubic Nanocages with a Face-Centered Cubic Structure by Templating with Pd Nanocubes. (2016) (88)
- Lattice strain effects on CO oxidation on Pt(111). (2006) (83)
- Methane Conversion to Ethylene and Aromatics on PtSn Catalysts (2017) (75)
- Low-temperature CO oxidation on Ni(111) and on a Au/Ni(111) surface alloy. (2010) (74)
- Eliminating dissolution of platinum-based electrocatalysts at the atomic scale (2020) (74)
- Reaction kinetics of ethylene glycol reforming over platinum in the vapor versus aqueous phases (2011) (70)
- Mixed-metal Pt monolayer electrocatalysts with improved CO tolerance. (2011) (68)
- Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies. (2022) (68)
- Density functional theory studies of the adsorption of ethylene and oxygen on Pt(111) and Pt3Sn(111) (2001) (67)
- Density Functional Theory Calculations for Simple Oxametallacycles: Trends across the Periodic Table (1998) (65)
- CO2 hydrogenation to formic acid on Ni(110) (2012) (65)
- CO vibrational frequencies on methanol synthesis catalysts: a DFT study (2003) (64)
- Iridium-Based Cubic Nanocages with 1.1-nm-Thick Walls: A Highly Efficient and Durable Electrocatalyst for Water Oxidation in an Acidic Medium. (2019) (64)
- Direct Visualization of Catalytically Active Sites at the FeO-Pt(111) Interface. (2015) (63)
- On the Mechanism of Low-Temperature CO Oxidation on Ni(111) and NiO(111) Surfaces (2010) (62)
- Density functional theory studies of HCOOH decomposition on Pd(111) (2016) (62)
- Density Functional Theory Calculations and Analysis of Reaction Pathways for Reduction of Nitric Oxide by Hydrogen on Pt(111) (2014) (62)
- On the Preferred Active Sites of Promoted MoS2 for Hydrodesulfurization with Minimal Organonitrogen Inhibition (2017) (59)
- Adsorption and dissociation of O2 on Ir(111) (2002) (58)
- Strain-induced formation of subsurface species in transition metals. (2004) (58)
- Distinguishing attosecond electron–electron scattering and screening in transition metals (2017) (57)
- Water clustering on nanostructured iron oxide films (2014) (55)
- Single-atom gold oxo-clusters prepared in alkaline solutions catalyse the heterogeneous methanol self-coupling reactions (2019) (55)
- DFT Insights into the Competitive Adsorption of Sulfur- and Nitrogen-Containing Compounds and Hydrocarbons on Co-Promoted Molybdenum Sulfide Catalysts (2016) (54)
- Transition Metal Atoms Embedded in Graphene: How Nitrogen Doping Increases CO Oxidation Activity (2019) (51)
- Reduction of FeO/Pt(1 1 1) Thin Films by Exposure to Atomic Hydrogen (2010) (50)
- HCOOH decomposition on Pt(111): A DFT study (2016) (49)
- Synthesis of Ru Icosahedral Nanocages with a Face-Centered-Cubic Structure and Evaluation of Their Catalytic Properties (2018) (49)
- Ab initio molecular dynamics of solvation effects on reactivity at electrified interfaces (2016) (49)
- Tip-Dependent Scanning Tunneling Microscopy Imaging of Ultrathin FeO Films on Pt(111) (2011) (48)
- Synthesis Gas Conversion over Rh-Based Catalysts Promoted by Fe and Mn (2017) (48)
- Density-functional theory studies of acetone and propanal hydrogenation on Pt(111) (2002) (48)
- Structure of Stoichiometric and Oxygen-Rich Ultrathin FeO(111) Films Grown on Pd(111) (2013) (47)
- Molecular N2 chemisorption—specific adsorption on step defect sites on Pt surfaces (1999) (47)
- Correlating STM contrast and atomic-scale structure by chemical modification: Vacancy dislocation loops on FeO/Pt(1 1 1) (2009) (46)
- Ethylene versus ethane: A DFT-based selectivity descriptor for efficient catalyst screening (2018) (45)
- Interaction of Carbon Dioxide with Cu Overlayers on Pt(111) (2008) (45)
- Atomic-scale evidence for an enhanced catalytic reactivity of stretched surfaces. (2003) (45)
- A search engine for catalysts (2006) (44)
- The adsorption and dissociation of O 2 molecular precursors on Cu: the effect of steps (2003) (43)
- Steam-created grain boundaries for methane C–H activation in palladium catalysts (2021) (42)
- Anionic Single-Atom Catalysts for CO Oxidation: Support-Independent Activity at Low Temperatures (2019) (42)
- Reaction Mechanism of Vapor-Phase Formic Acid Decomposition over Platinum Catalysts: DFT, Reaction Kinetics Experiments, and Microkinetic Modeling (2020) (42)
- Conductance of Conjugated Molecular Wires: Length Dependence, Anchoring Groups, and Band Alignment (2009) (42)
- Quantum tunneling enabled self-assembly of hydrogen atoms on Cu(111). (2012) (41)
- Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra. (2017) (41)
- Adsorbate-Induced Segregation in a PdAg Membrane Model System: Pd3Ag(1 1 1) (2012) (41)
- Facile Synthesis of Ru-Based Octahedral Nanocages with Ultrathin Walls in a Face-Centered Cubic Structure (2017) (41)
- Significant Quantum Effects in Hydrogen Activation (2014) (40)
- Correlation Between Reactivity and Oxidation State of Cobalt Oxide Catalysts for CO Preferential Oxidation (2019) (40)
- Kinetically Controlled Synthesis of Pd-Cu Janus Nanocrystals with Enriched Surface Structures and Enhanced Catalytic Activities toward CO2 Reduction. (2020) (40)
- Adsorption of nitrogen‐ and sulfur‐containing compounds on NiMoS for hydrotreating reactions: A DFT and vdW‐corrected study (2015) (39)
- Platinum Monolayer Electrocatalysts for O2 Reduction: Pt Monolayer on Carbon-Supported PdIr Nanoparticles (2010) (37)
- Understanding the Thermal Stability of Palladium-Platinum Core-Shell Nanocrystals by In Situ Transmission Electron Microscopy and Density Functional Theory. (2017) (37)
- Step Effects on the Dissociation of NO on Close-Packed Rhodium Surfaces (2009) (35)
- Liquid Crystals with Interfacial Ordering that Enhances Responsiveness to Chemical Targets (2018) (35)
- Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the In Situ Nature of the Active Site in Catalysis. (2020) (34)
- Atomic and Molecular Adsorption on Ag(111) (2018) (34)
- On the Role of Subsurface Oxygen and Ethylenedioxy in Ethylene Epoxidation on Silver. (2007) (34)
- Atomic and Molecular Adsorption on Cu(111) (2018) (34)
- Sequential-Optimization-Based Framework for Robust Modeling and Design of Heterogeneous Catalytic Systems (2017) (33)
- The nature of the Fe-graphene interface at the nanometer level. (2015) (32)
- On the Structure Sensitivity of Formic Acid Decomposition on Cu Catalysts (2016) (31)
- Atomic and molecular adsorption on Ni(111) (2019) (31)
- The addition of Sb as a surfactant to GaN growth by metal organic vapor phase epitaxy (2002) (31)
- Mechanistic Studies of Oxygen Reduction by Hydrogen on PdAg(110) (2013) (30)
- Design of Chemoresponsive Liquid Crystals through Integration of Computational Chemistry and Experimental Studies (2017) (30)
- Facile One-Pot Synthesis of Pd@Pt1L Octahedra with Enhanced Activity and Durability toward Oxygen Reduction (2019) (30)
- Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas. (2018) (30)
- Towards first-principles molecular design of liquid crystal-based chemoresponsive systems (2016) (30)
- Brønsted–Evans–Polanyi relation for CO oxidation on metal oxides following the Mars–van Krevelen mechanism (2019) (30)
- How Noninnocent Spectator Species Improve the Oxygen Reduction Activity of Single-Atom Catalysts: Microkinetic Models from First-Principles Calculations (2020) (30)
- Ethylene Dimerization and Oligomerization to 1-Butene and Higher Olefins with Chromium-Promoted Cobalt on Carbon Catalyst (2018) (30)
- Structure Sensitivity of Formic Acid Electrooxidation on Transition Metal Surfaces: A First-Principles Study (2018) (30)
- Molecular and Atomic Hydrogen Interactions with Au−Ir Near-Surface Alloys (2009) (29)
- Effectiveness of in situ NH3 annealing treatments for the removal of oxygen from GaN surfaces (2009) (28)
- Site-dependent reactivity of MoS2 nanoparticles in hydrodesulfurization of thiophene (2020) (27)
- Nanocatalysis beyond the gold-rush era. (2008) (27)
- An Adsorption Study of CH4 on ZSM-5, MOR, and ZSM-12 Zeolites (2015) (27)
- Facet-controlled Pt–Ir nanocrystals with substantially enhanced activity and durability towards oxygen reduction (2020) (26)
- Atomic and Molecular Adsorption on Re(0001) (2014) (26)
- Hydrogen on and in Selected Overlayer Near-Surface Alloys and the Effect of Subsurface Hydrogen on the Reactivity of Alloy Surfaces (2010) (25)
- Density Functional Theory and Reaction Kinetics Studies of the Water–Gas Shift Reaction on Pt–Re Catalysts (2013) (25)
- Adsorbate diffusion on transition metal nanoparticles. (2015) (25)
- Identification of O-rich structures on platinum(111)-supported ultrathin iron oxide films (2016) (24)
- Computational Chemistry‐Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups (2018) (24)
- CO-induced embedding of Pt adatoms in a partially reduced FeO(x) film on Pt(111). (2011) (24)
- Surfactant effect of Sb on GaN growth (2005) (22)
- Stabilities of Substituted Oxametallacycle Intermediates: Implications for Regioselectivity of Epoxide Ring Opening and Olefin Epoxidation (1999) (22)
- Recent Developments in the Electrocatalysis of the O2 Reduction Reaction (2008) (22)
- Practical Surface Treatments and Surface Chemistry of n-Type and p-Type GaN (2008) (22)
- Oxygen Reduction Reaction on Platinum-Terminated “Onion-structured” Alloy Catalysts (2012) (22)
- On the composition of bimetallic near-surface alloys in the presence of oxygen and carbon monoxide (2014) (22)
- Adsorption of Small Alkanes on ZSM-5 Zeolites: Influence of Brønsted Sites (2016) (21)
- Solution-Phase Synthesis of PdH0.706 Nanocubes with Enhanced Stability and Activity toward Formic Acid Oxidation. (2022) (21)
- Formic Acid: A Hydrogen-Bonding Cocatalyst for Formate Decomposition (2020) (21)
- Boron Nitride‐supported Sub‐nanometer Pd6 Clusters for Formic Acid Decomposition: A DFT Study (2017) (20)
- Influence of Bi impurity as a surfactant during the growth of GaN by metalorganic vapor phase epitaxy (2002) (20)
- Mechanistic Study of Nitric Oxide Reduction by Hydrogen on Pt(100) (I): A DFT Analysis of the Reaction Network. (2017) (20)
- Hydrodechlorination of 1,2-dichloroethane on supported AgPd catalysts (2019) (19)
- First-Principles Mechanistic Analysis of Dimethyl Ether Electro-Oxidation on Monometallic Single-Crystal Surfaces (2014) (19)
- The role of anions in adsorbate-induced anchoring transitions of liquid crystals on surfaces with discrete cation binding sites. (2018) (18)
- Temperature Programmed Desorption Spectra of Systems with Concentration Gradients in the Solid Lattice (1996) (18)
- Synthesis Gas Conversion over Rh-Mn-WxC/SiO2 Catalysts Prepared by Atomic Layer Deposition (2018) (18)
- Introduction: Advanced Materials and Methods for Catalysis and Electrocatalysis by Transition Metals. (2021) (18)
- Microcalorimetric, infrared spectroscopic and DFT studies of CO adsorption on Rh and Rh-Te catalysts (2003) (18)
- Manipulation and patterning of the surface hydrogen concentration on Pd(111) by electric fields. (2007) (18)
- Alignment of semiconducting graphene nanoribbons on vicinal Ge(001). (2019) (17)
- The effects of exposure time and pressure on the temperature-programmed desorption spectra of systems with bulk states (1996) (17)
- Synthesis and properties of hydroxy tail-terminated cyanobiphenyl liquid crystals (2018) (17)
- Density functional theory study of thermodynamic and kinetic isotope effects of H2/D2 dissociative adsorption on transition metals (2018) (17)
- Advanced solution methods for microkinetic models of catalytic reactions: A methanol synthesis case study (2014) (16)
- Priority Communication On the origin of the catalytic activity of gold nanoparticles for low-temperature CO oxidation (2004) (16)
- A theoretical comparative study of the surfactant effect of Sb and Bi on GaN growth (2007) (15)
- Reactions of Propylene Oxide on Supported Silver Catalysts: Insights into Pathways Limiting Epoxidation Selectivity (2012) (15)
- Toward rational nanoparticle synthesis: predicting surface intermixing in bimetallic alloy nanocatalysts. (2017) (15)
- Dimethyl ether electro-oxidation on platinum surfaces (2016) (15)
- 11 DFT and experimental studies of C-C and C-O bond cleavage in ethanol and ethylene glycol on Pt catalysts (2003) (15)
- Janus Nanocages of Platinum-Group Metals and Their Use as Effective Dual-Electrocatalysts. (2021) (15)
- How coverage influences thermodynamic and kinetic isotope effects for H2/D2 dissociative adsorption on transition metals (2020) (15)
- A completely precious metal–free alkaline fuel cell with enhanced performance using a carbon-coated nickel anode (2022) (15)
- Low-temperature hydrogenation of cyclohexene by energetic forms of hydrogen on the Ni(100) surface (1995) (14)
- Physical Transformations of Noble-Metal Nanocrystals upon Thermal Activation. (2020) (14)
- Effects of composition and morphology on the hydrogen storage properties of transition metal hydrides: Insights from PtPd nanoclusters (2019) (14)
- Controlling the electronic structure of graphene using surface-adsorbate interactions (2014) (13)
- Ir-Ni Bimetallic OER Catalysts Prepared by Controlled Ni Electrodeposition on Irpoly and Ir(111) (2018) (13)
- Thermodynamics Perspective on the Stepwise Conversion of Methane to Methanol over Cu-Exchanged SSZ-13 (2021) (13)
- Computational Chemistry-Based Identification of Ultra-Low Temperature Water-Gas-Shift Catalysts (2008) (12)
- Anisotropic Synthesis of Armchair Graphene Nanoribbon Arrays from Sub-5 nm Seeds at Variable Pitches on Germanium. (2019) (12)
- Role of Hydrogen-bonded Bimolecular Formic Acid–Formate Complexes for Formic Acid Decomposition on Copper: A Combined First-Principles and Microkinetic Modeling Study (2021) (12)
- A mean‐field modeling study of the interaction between hydrogen and a palladium (110) single crystal (1996) (12)
- A self-adjusting platinum surface for acetone hydrogenation (2020) (12)
- Chloroform Hydrodechlorination on Palladium Surfaces: A Comparative DFT Study on Pd(111), Pd(100), and Pd(211) (2020) (12)
- Kinetic Isolation between Turnovers on Au18 Nanoclusters: Formic Acid Decomposition One Molecule at a Time (2019) (12)
- Chloroform Hydrodechlorination over Palladium–Gold Catalysts: A First‐Principles DFT Study (2016) (12)
- On the Structure Sensitivity of Dimethyl Ether Electro-oxidation on Eight FCC Metals: A First-Principles Study (2015) (12)
- Areas of opportunity related to design of chemical and biological sensors based on liquid crystals (2020) (11)
- HCOOH Decomposition on Sub-Nanometer Pd6 Cluster Catalysts: The Effect of Defective Boron Nitride Supports Through First Principles (2021) (11)
- Synthesis and properties of fluorine tail-terminated cyanobiphenyls and terphenyls for chemoresponsive liquid crystals (2020) (11)
- Structure sensitivity of ammonia electro-oxidation on transition metal surfaces: A first-principles study (2021) (11)
- Computational chemistry for NH3 synthesis, hydrotreating, and NOx reduction: Three topics of special interest to Haldor Topsøe (2015) (11)
- UV–Vis and Photoluminescence Spectroscopy to Understand the Coordination of Cu Cations in the Zeolite SSZ-13 (2019) (11)
- Platinum and Palladium Monolayer Electrocatalysts for Formic Acid Oxidation (2020) (11)
- Effect of Sn on the Reactivity of Cu Surfaces (2004) (11)
- The effect of coadsorbed oxygen on the adsorption and diffusion of potassium on Rh(110): A first-principles study (2007) (10)
- Mechanistic Role of the Proton–Hydride Pair in Heteroarene Catalytic Hydrogenation (2019) (10)
- On the structure sensitivity of and CO coverage effects on formic acid decomposition on Pd surfaces (2021) (10)
- Facile Synthesis of Palladium‐Based Nanocrystals with Different Crystal Phases and a Comparison of Their Catalytic Properties (2021) (10)
- Direct Synthesis of Hydrogen Peroxide Over Au–Pd Catalysts Prepared by Electroless Deposition (2015) (10)
- Amplification of Elementary Surface Reaction Steps on Transition Metal Surfaces using Liquid Crystals: Dissociative Adsorption and Dehydrogenation. (2019) (10)
- A DFT study of chlorine coverage over late transition metals and its implication on 1,2-dichloroethane hydrodechlorination (2018) (10)
- Ethane dehydrogenation on pristine and AlOx decorated Pt stepped surfaces (2018) (10)
- Expanding Plastics Recycling Technologies: Chemical Aspects, Technology Status and Challenges (2022) (10)
- Quantum chemical calculations to determine partitioning coefficients for HgCl2 on iron-oxide aerosols. (2018) (9)
- The role of iron-oxide aerosols and sunlight in the atmospheric reduction of Hg(II) species: A DFT+U study (2018) (8)
- Heterogeneous Reduction Pathways for Hg(II) Species on Dry Aerosols: A First-Principles Computational Study. (2016) (8)
- Formic Acid Electrooxidation on Pt or Pd Monolayer on Transition-Metal Single Crystals: A First-Principles Structure Sensitivity Analysis (2021) (8)
- HYDROGEN ENERGETICS IN A-SI:H AS DETERMINED BY A COMBINATION OF MEAN-FIELDMODELING AND EXPERIMENTAL EVOLUTION DATA (1998) (8)
- On the nature of active sites for formic acid decomposition on gold catalysts (2019) (8)
- Molecular-scale structural distortion near vacancies in pentacene (2008) (8)
- The nature of the Fe-graphene interface at the nanometer level (2016) (8)
- Weak molecular chemisorption of N2/Pt(111) (2009) (8)
- Erratum to: “Adsorption and dissociation of O2 on Cu(111): thermochemistry, reaction barrier and the effect of strain” [Surface Science 494 (2001) 131–144] (2002) (7)
- Hydrodechlorination of 1,2-Dichloroethane on Platinum Catalysts: Insights from Reaction Kinetics Experiments, Density Functional Theory, and Microkinetic Modeling (2021) (7)
- Pd3Ag(111) as a Model System for Hydrogen Separation Membranes: Combined Effects of CO Adsorption and Surface Termination on the Activation of Molecular Hydrogen (2020) (7)
- Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals (2021) (7)
- Author Correction: Bismuthene for highly efficient carbon dioxide electroreduction reaction (2020) (7)
- Effect of strain on the reactivity of graphene films (2020) (7)
- An Impactor Origin for Lunar Magnetic Anomalies (2012) (6)
- Redox‐Triggered Orientational Responses of Liquid Crystals to Chlorine Gas (2018) (6)
- Nanocatalysis Beyond the Gold‐Rush Era (2008) (6)
- Molecular-Scale Structure of a Nitrobenzene Monolayer on Si(001) (2011) (6)
- Molecular simulations of analyte partitioning and diffusion in liquid crystal sensors (2020) (6)
- New room temperature nematogens by cyano tail termination of alkoxy and alkylcyanobiphenyls and their anchoring behavior on metal salt-decorated surface (2020) (6)
- Comparing the performance of density functionals in describing the adsorption of atoms and small molecules on Ni(111) (2020) (5)
- Designing chemically selective liquid crystalline materials that respond to oxidizing gases (2021) (5)
- Exploring driving forces for length growth in graphene nanoribbons during chemical vapor deposition of hydrocarbons on Ge(0 0 1) via kinetic Monte Carlo simulations (2020) (5)
- Trends in Formic Acid Electro-Oxidation on Transition Metals Alloyed with Platinum and Palladium (2022) (5)
- Binding of Organophosphorus Nerve Agents and Their Simulants to Metal Salts. (2020) (5)
- Modifications of the electronic structure of GaSb surface by chalcogen atoms: S, Se, and Te (2004) (5)
- Identification of stable adsorption sites and diffusion paths on nanocluster surfaces: an automated scanning algorithm (2019) (4)
- Computational Chemistry-Based Evaluation of Metal Salts and Metal Oxides for Application in Mercury-Capture Technologies (2020) (4)
- Computational description of key spectroscopic features of zeolite SSZ-13. (2019) (4)
- Influence of multifluorophenyloxy terminus on the mesomorphism of the alkoxy and alkyl cyanobiphenyl compounds in search of new ambient nematic liquid crystals and mixtures (2020) (4)
- On the active site for electrocatalytic water splitting on late transition metals embedded in graphene (2019) (4)
- In situ, operando studies on the size and structure of supported Pt catalysts under supercritical conditions by simultaneous synchrotron-based X-ray techniques. (2019) (4)
- Effects of water on the kinetics of acetone hydrogenation over Pt and Ru catalysts (2021) (4)
- Iridium‐Based Cubic Nanocages with 1.1‐nm‐Thick Walls: A Highly Efficient and Durable Electrocatalyst for Water Oxidation in an Acidic Medium (2019) (4)
- An automated cluster surface scanning method for exploring reaction paths on metal-cluster surfaces (2021) (3)
- Sensing Gas Mixtures by Analyzing the Spatiotemporal Optical Responses of Liquid Crystals Using 3D Convolutional Neural Networks. (2022) (3)
- Understanding Electrocatalysts for Low-Temperature Fuel Cells (2010) (3)
- Stability of surface and subsurface hydrogen on and in Au/Ni near-surface alloys (2015) (3)
- Dissociation of N2, NO and CO on Transition Metal Surfaces (1999) (3)
- Author Correction: Eliminating dissolution of platinum-based electrocatalysts at the atomic scale (2020) (3)
- Mechanistic Study of 1,2-Dichloroethane Hydrodechlorination on Cu-Rich Pt–Cu Alloys: Combining Reaction Kinetics Experiments with DFT Calculations and Microkinetic Modeling (2022) (3)
- Alloy Catalysts Designed from First Principles. (2005) (2)
- Direct Time-Domain Observation of Attosecond Photoelectron Lifetimes and Attosecond Electron Dynamics in Occupied Bands in Solids (2016) (2)
- Optimization Methods for Catalyst Design (2016) (2)
- Optical method for quantifying the potential of zero charge at the platinum–water electrochemical interface (2023) (2)
- Rücktitelbild: Stabilization of Copper Catalysts for Liquid‐Phase Reactions by Atomic Layer Deposition (Angew. Chem. 51/2013) (2013) (2)
- Mechanism of methanol synthesis on Ni(110) (2021) (2)
- Correction: Expanding plastics recycling technologies: chemical aspects, technology status and challenges (2022) (2)
- Phase-Controlled Synthesis of Ru Nanocrystals via Template-Directed Growth: Surface Energy versus Bulk Energy. (2022) (2)
- Design of Chemoresponsive Soft Matter Using Hydrogen-Bonded Liquid Crystals (2021) (2)
- Tightly Pitched sub-10 nm Graphene Nanoribbon Arrays via Seed Mediated Growth on Ge (001) (2019) (2)
- Back Cover: Iridium‐Based Cubic Nanocages with 1.1‐nm‐Thick Walls: A Highly Efficient and Durable Electrocatalyst for Water Oxidation in an Acidic Medium (Angew. Chem. Int. Ed. 22/2019) (2019) (2)
- Coupling the chemical reactivity of bimetallic surfaces to the orientations of liquid crystals (2021) (2)
- PRIORITY COMMUNICATION Universality in Heterogeneous Catalysis (2002) (1)
- Atomic-Scale Design of Iron Fischer-Tropsch Catalysts: A Combined Computational Chemistry, Experimental, and Microkinetic Modeling Approach (2006) (1)
- Inside Back Cover: Boron Nitride-supported Sub-nanometer Pd6 Clusters for Formic Acid Decomposition: A DFT Study (ChemCatChem 9/2017) (2017) (1)
- A Coverage Self-Consistent Microkinetic Model for Vapor-Phase Formic Acid Decomposition over Pd/C Catalysts (2023) (1)
- Identifying hydroxylated copper dimers in SSZ-13 via UV-vis spectroscopy (2022) (1)
- Generalized Brønsted‐Evans‐Polanyi Relationships for Reactions on Metal Surfaces from Machine Learning (2022) (1)
- Mechanistic Similarities and Differences for Hydrogenation of Aromatic Heterocycles and Aliphatic Carbonyls on Sulfided Ru Nanoparticles (2021) (1)
- CO[subscript 2] hydrogenation to formic acid on Ni(111) (2011) (1)
- Back Cover: Stabilization of Copper Catalysts for Liquid‐Phase Reactions by Atomic Layer Deposition (Angew. Chem. Int. Ed. 51/2013) (2013) (1)
- Formation of active sites on transition metals through reaction-driven migration of surface atoms (2023) (0)
- Mechanistic insights into the pyrolysis of poly (vinyl chloride) (2023) (0)
- V.N.29 Atomic-Scale Design of Metal and Alloy Catalysts: a Combined Theoretical and Experimental Approach (2013) (0)
- A comparative analysis of different van der Waals treatments for molecular adsorption on the basal plane of 2H-MoS2 (2022) (0)
- Room: N - Session SS3-TuA (2009) (0)
- Near-surface alloys for improved catalysis. (2006) (0)
- CATALYSIS SCIENCE INITIATIVE: From First Principles Design to Realization of Bimetallic Catalysts for Enhanced Selectivity (2007) (0)
- Mixed-metal Pt Monolayer Electrocatalysts with Enhanced Activity for O2 Reduction (2006) (0)
- Yanping Zhai Water-Gas Shift Reactions Species Catalyze Low-Temperature x Alkali-Stabilized Pt-OH (2013) (0)
- Dynamics of intermolecular Auger decay at a surface-chemisorbate interface (2014) (0)
- Erratum to “The effects of exposure time and pressure on the temperature-programmed desorption spectra of systems with bulk states” [Surface Science 355 (1996) L385] (1996) (0)
- Influence of the Material Band Structure on Attosecond Many-Body Electron-Electron Interactions in Transition Metals. (2017) (0)
- Janus Nanocages of Platinum‐Group Metals and Their Use as Effective Dual‐Electrocatalysts (0)
- Far above bandgap photonics: attosecond dynamics of highly excited electrons in materials (2017) (0)
- Author Correction: Bismuthene for highly efficient carbon dioxide electroreduction reaction (2020) (0)
- Investigation of the mesogenic behavior of alkoxy and fluorine tail terminated alkoxy nitrobiphenyls for chemoresponsive liquid crystals (2022) (0)
- Manos Mavrikakis (2019) (0)
- Exploiting Electricity Market Dynamics using Flexible Electrolysis Units for Retrofitting Methanol Synthesis (2023) (0)
- Molecular-scale Structure of Pentacene at Functionalized Electronic Interfaces (2011) (0)
- Fundamental mechanistic studies in formic acid decomposition on transition metal surfaces (2014) (0)
- Thank you Charlie (2012) (0)
- V . D . 4 Atomic-Scale Design of a New Class of Alloy Catalysts for Reactions Involving Hydrogen : A Theoretical and Experimental Approach (0)
- Ordering Transitions of Liquid Crystals Triggered by Metal Oxide-catalyzed Reactions of Sulfur Oxide Species. (2022) (0)
- Bismuthene for highly efficient carbon dioxide electroreduction reaction (2020) (0)
- From First Principles Design to Realization of Bimetallic Catalysts for Enhanced Selectivity (2014) (0)
- Gas-phase microactuation using kinetically controlled surface states of ultrathin catalytic sheets. (2023) (0)
- Transient Mean-Field Reaction-Diffusion Model Applied to Hydrogen Evolution From Hydrogenated Amorphous Silicon (1995) (0)
- Atomic and molecular adsorption on RhÑ111Ö (2007) (0)
- Influence of the Material Band Structure on Attosecond Electron Dynamics in Transition Metals (2016) (0)
- Atomic-scale Design of a New Class of Alloy Catalysts for Reactions Involving Hydrogen: A Theoretical and Experimental Approach (2007) (0)
- Catalyst and Fuel Interactions to Optimize Endothermic Cooling (2016) (0)
- Signi fi cant Quantum E ff ects in Hydrogen Activation (2014) (0)
- New Principles for Targeting and Triggering based on Molecular Self-Assembly in Topological Defects of Liquid Crystals (2019) (0)
- Rücktitelbild: Iridium‐Based Cubic Nanocages with 1.1‐nm‐Thick Walls: A Highly Efficient and Durable Electrocatalyst for Water Oxidation in an Acidic Medium (Angew. Chem. 22/2019) (2019) (0)
- Direct Time-domain Observation of Attosecond Electron Dynamics in Solids using Attosecond Pulse Sequences (2019) (0)
- BES021. Atomic-scale Design of a New Class of Alloy Catalysts for Reactions Involving Hydrogen: A Theoretical and Experimental Approach (2010) (0)
- Probing high-energy final-state lifetimes with attosecond angle-resolved photoelectron spectroscopy (2017) (0)
- Supporting Information In situ , operando studies on size and structure of supported Pt catalysts under supercritical conditions by simultaneous synchrotron-based x-ray techniques (2019) (0)
- Computational Chemistry for NH3 Synthesis, Hydrotreating, and NOx Reduction: Three Topics of Special Interest to Haldor Topsoe (2015) (0)
- Role of hydrogen on catalytic reduction of nitric oxide on selected transition metal surfaces (2008) (0)
- Insights into the Oxygen Evolution Reaction on Graphene-Based Single-Atom Catalysts from First-Principles-Informed Microkinetic Modeling (2023) (0)
- Decomposition Kinetics of H2O2 on Pd Nanocrystals with Different Shapes and Surface Strains (2022) (0)
- The role of coverage effects on the structure–sensitivity of formic acid electrooxidation on Pd surfaces (2022) (0)
- (Keynote) Theoretical Inspirations from Radoslav Adzic’s Electrocatalysis Work (2018) (0)
- A tribute to R. Byron Bird (2014) (0)
- LDRD final report on "fundamentals of synthetic conversion of CO2 to simple hydrocarbon fuels" (LDRD 113486). (2009) (0)
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