Alexander Chroneos
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Alexander Chroneoschemistry Degrees
Chemistry
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Chemical Engineering
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Chemistry
Alexander Chroneos's Degrees
- Masters Chemical Engineering Imperial College London
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(Suggest an Edit or Addition)Alexander Chroneos'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
- Oxygen diffusion in solid oxide fuel cell cathode and electrolyte materials: mechanistic insights from atomistic simulations (2011) (336)
- Anisotropic oxygen diffusion in tetragonal La2NiO4+δ: molecular dynamics calculations (2010) (167)
- Diffusion of n-type dopants in germanium (2014) (146)
- Oxygen ion diffusion in cation ordered/disordered GdBaCo2O5+δ (2011) (134)
- Oxygen Transport in Perovskite and Related Oxides: A Brief Review (2010) (128)
- Vacancy-mediated dopant diffusion activation enthalpies for germanium (2008) (128)
- Effect of strain on the oxygen diffusion in yttria and gadolinia co-doped ceria (2013) (109)
- Impact of uniaxial strain and doping on oxygen diffusion in CeO2 (2014) (104)
- Plasma engineering of graphene (2016) (101)
- Elastic and thermodynamic properties of new (Zr3−xTix)AlC2 MAX-phase solid solutions (2017) (98)
- Synthesis and DFT investigation of new bismuth-containing MAX phases (2016) (92)
- Solution Mechanisms for Dopant Oxides in Yttria (2004) (89)
- Interstitialcy diffusion of oxygen in tetragonal La2CoO(4+δ). (2011) (86)
- Molecular dynamics study of oxygen diffusion in Pr(2)NiO(4+delta). (2010) (83)
- Anisotropic oxygen diffusion in PrBaCo2O5.5 double perovskites (2012) (82)
- Deviations from Vegard's law in ternary III-V alloys (2010) (82)
- Detecting anomalies in time series data via a deep learning algorithm combining wavelets, neural networks and Hilbert transform (2017) (81)
- Strain-induced changes to the electronic structure of germanium (2012) (80)
- Vacancy-arsenic clusters in germanium (2007) (79)
- Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes (2008) (78)
- Diffusion of E centers in germanium predicted using GGA+U approach (2011) (78)
- Fluorine effect on As diffusion in Ge (2011) (76)
- Genetics of superionic conductivity in lithium lanthanum titanates. (2015) (73)
- Intrinsic and extrinsic diffusion of indium in germanium (2009) (73)
- Carbon, dopant, and vacancy interactions in germanium (2007) (73)
- S-functionalized MXenes as electrode materials for Li-ion batteries (2016) (70)
- Modeling self-diffusion in UO2 and ThO2 by connecting point defect parameters with bulk properties (2015) (68)
- c-axis hopping conductivity in heavily Pr-doped YBCO single crystals (2013) (68)
- Modeling self-diffusion in UO2 and ThO2 by connecting point defect parameters with bulk properties (2015) (68)
- Point defect engineering strategies to suppress A-center formation in silicon (2011) (68)
- Attempts to synthesise quaternary MAX phases (Zr,M)2AlC and Zr2(Al,A)C as a way to approach Zr2AlC (2016) (67)
- Mechanical behaviors, lattice thermal conductivity and vibrational properties of a new MAX phase Lu2SnC (2019) (67)
- Mechanical behaviors, lattice thermal conductivity and vibrational properties of a new MAX phase Lu2SnC (2019) (67)
- Smartphones as an integrated platform for monitoring driver behaviour: The role of sensor fusion and connectivity (2018) (65)
- Defect processes in orthorhombic LnBaCo2O5.5 double perovskites. (2011) (63)
- Fluorine codoping in germanium to suppress donor diffusion and deactivation (2009) (63)
- Dopant-vacancy cluster formation in germanium (2010) (62)
- Oxygen diffusion in Sr 0.75 Y 0.25 CoO 2.625 : a molecular dynamics study (2009) (62)
- Impact of isovalent doping on the trapping of vacancy and interstitial related defects in Si (2013) (62)
- Electro-transport and structure of 1-2-3 HTSC single crystals with different plane defects topologies (2012) (61)
- Effect of high pressure on the fluctuation conductivity and the charge transfer of YBa2Cu3O7−δ single crystals (2008) (59)
- Phase separation in oxygen deficient ΗοBa2Cu3O7-δ single crystals: effect of high pressure and twin boundaries (2011) (59)
- Intrinsic Defects and H Doping in WO3 (2017) (59)
- Physical properties of the recently discovered Zr2(Al1−xBix)C MAX phases (2016) (59)
- Effect of tin doping on oxygen- and carbon-related defects in Czochralski silicon (2011) (58)
- Fluctuation conductivity and pseudogap in HoBa2Cu3O7-δ single crystals under pressure with transport current flowing under an angle 45° to the twin boundaries (2014) (58)
- Synthesis and physical properties of (Zr1−x,Tix)3AlC2 MAX phases (2017) (58)
- Oxygen defect processes in silicon and silicon germanium (2015) (58)
- Nonlinear stability of E centers in Si 1- x Ge x : electronic structure calculations (2008) (57)
- Effect of germanium substrate loss and nitrogen on dopant diffusion in germanium (2009) (57)
- Defect interactions in Sn1−xGex random alloys (2009) (57)
- The Effect of Ion Size on Solution Mechanism and Defect Cluster Geometry (1997) (56)
- E centers in ternary Si1−x−yGexSny random alloys (2009) (55)
- Interaction of A-centers with isovalent impurities in silicon (2010) (53)
- Structural relaxation, metal-to-insulator transition and pseudo-gap in oxygen deficient НоBa2Cu3O7−δ single crystals (2009) (52)
- Implantation and diffusion of phosphorous in germanium (2006) (52)
- The vacancy in silicon: a critical evaluation of experimental and theoretical results (2008) (52)
- Defects, dopants and Mg diffusion in MgTiO3 (2019) (52)
- Phosphorous clustering in germanium-rich silicon germanium (2008) (52)
- Effect of praseodymium on the electrical resistance of YВа2Сu3О7−δ single crystals (2014) (51)
- The thermodynamics of hydride precipitation: The importance of entropy, enthalpy and disorder (2014) (51)
- Impact of germanium on vacancy clustering in germanium-doped silicon (2009) (51)
- Isovalent impurity‐vacancy complexes in germanium (2007) (50)
- Modeling oxygen self-diffusion in UO2 under pressure (2015) (47)
- Metal-to-insulator transition in Y1−xPrxBa2Cu3O7−δ single crystals with various praseodymium contents (2013) (47)
- Nb‐based MXenes for Li‐ion battery applications (2015) (47)
- Effect of annealing on a pseudogap state in untwinned YBa2Cu3O7−δ single crystals (2019) (46)
- Evolution of the Fishtail-Effect in Pure and Ag-doped MG-YBCO (2010) (45)
- Fluctuation conductivity of oxygen underdoped YBa2Cu3O7−δ single crystals (2014) (44)
- Effect of long aging on the resistivity properties of optimally doped YBa2Cu3O7−δ single crystals (2013) (44)
- Vacancies and defect levels in III-V semiconductors (2013) (44)
- Transport anisotropy and pseudo-gap state in oxygen deficient ReBa2Cu3O7−δ (Re = Y, Ho) single crystals (2008) (44)
- Silicene/germanene on MgX2 (X = Cl, Br, and I) for Li-ion battery applications. (2016) (43)
- Mechanical behavior, bonding nature and defect processes of Mo2ScAlC2: A new ordered MAX phase (2017) (43)
- Excess conductivity and pseudo-gap state in YBCO single crystals slightly doped with Al and Pr (2007) (42)
- Relaxation of the normal electrical resistivity induced by high-pressure in strongly underdoped YBa2Cu3O7–δ single crystals (2012) (42)
- Nuclear wasteform materials: Atomistic simulation case studies (2013) (42)
- Incoherent transport and pseudo-gap in HoBa2Cu3O7−δ single crystals with different oxygen content (2009) (42)
- Physical properties and defect processes of M3SnC2 (M = Ti, Zr, Hf) MAX phases: Effect of M-elements (2018) (41)
- A-centers in silicon studied with hybrid density functional theory (2013) (41)
- Defect process and lithium diffusion in Li2TiO3 (2018) (41)
- A perspective on MXenes: Their synthesis, properties, and recent applications (2020) (41)
- Experimental synthesis and density functional theory investigation of radiation tolerance of Zr3(Al1‐xSix)C2 MAX phases (2017) (40)
- Carbon related defects in irradiated silicon revisited (2014) (40)
- INFLUENCE OF HIGH PRESSURE ON THE TEMPERATURE-DEPENDENCE OF THE PSEUDO-GAP IN OXYGEN DEFICIENT YBa2Cu3O7-δ SINGLE CRYSTALS (2010) (40)
- INFLUENCE OF LONGITUDINAL MAGNETIC FIELD ON THE FLUCTUATION CONDUCTIVITY IN SLIGHTLY Al-DOPED YBa2Cu3-zAlzO7-δ SINGLE CRYSTALS WITH A GIVEN TOPOLOGY OF PLANE DEFECTS (2011) (40)
- Effect of high pressure on the electrical resistivity of optimally doped YBa2Cu3O7−δ single crystals with unidirectional planar defects (2013) (39)
- Effect of small oxygen deficiency on the para-coherent transition and 2D–3D crossover in untwinned YBa2СuзО7−δ single crystals (2011) (39)
- Effect of high pressure on the metal-dielectric transition and the pseudo-gap temperature range in oxygen deficient YBa2Cu3O7−δ single crystals (2011) (39)
- Defect chemistry of doped bixbyite oxides (2007) (39)
- Resistive investigation of pseudogap state in non-stoichiometric ReBa2Cu3O7−δ (Re = Y, Ho) single crystals with account for BCS–BEC crossover (2009) (38)
- Lithium Doping of ZnO for High Efficiency and Stability Fullerene and Non-fullerene Organic Solar Cells (2019) (36)
- Intrinsic defect processes and elastic properties of Ti3AC2 (A = Al, Si, Ga, Ge, In, Sn) MAX phases (2018) (33)
- Atomic scale simulations of arsenic–vacancy complexes in germanium and silicon (2006) (32)
- Engineering the free vacancy and active donor concentrations in phosphorus and arsenic double donor-doped germanium (2008) (31)
- Peculiarities of pseudogap in Y0.95Pr0.05Ba2Cu3O7−δ single crystals under pressure up to 1.7 GPa (2019) (31)
- Diffusion of tin in germanium: A GGA+U approach (2011) (30)
- Defects and dopant properties of Li3V2(PO4)3 (2019) (29)
- Impurity diffusion, point defect engineering, and surface/interface passivation in germanium (2012) (29)
- Defects and lithium migration in Li2CuO2 (2018) (28)
- Defects, dopants and Li-ion diffusion in Li2SiO3 (2019) (28)
- Point defect engineering strategies to retard phosphorous diffusion in germanium. (2013) (27)
- Structural, elastic, thermal and lattice dynamic properties of new 321 MAX phases (2019) (27)
- Li2SnO3 as a Cathode Material for Lithium-ion Batteries: Defects, Lithium Ion Diffusion and Dopants (2018) (27)
- Phase stability and physical properties of (Zr1-Nb )2AlC MAX phases (2019) (27)
- Engineering Transport in Manganites by Tuning Local Nonstoichiometry in Grain Boundaries (2018) (27)
- Atomic scale models for RBa2Cu3O6.5 and R1- xPrxBa2Cu3O6. 5 compounds (R=Y and lanthanides) (2007) (27)
- Composition and temperature dependence of self-diffusion in Si1−xGex alloys (2017) (26)
- Unexpected relationship between interlayer distances and surface/cleavage energies in γ-TiAl: density functional study (2011) (26)
- Defects, Dopants and Sodium Mobility in Na2MnSiO4 (2018) (26)
- Concentration of intrinsic defects and self-diffusion in GaSb (2008) (25)
- Connecting point defect parameters with bulk properties to describe diffusion in solids (2016) (25)
- Lithium diffusion in Li5FeO4 (2018) (25)
- Defect processes in F and Cl doped anatase TiO2 (2019) (24)
- A roadmap of strain in doped anatase TiO2 (2018) (24)
- A thermodynamic approach of self- and hetero-diffusion in GaAs: connecting point defect parameters with bulk properties (2016) (24)
- Phase stability and the arsenic vacancy defect in InxGa1−xAs (2011) (23)
- A-centers and isovalent impurities in germanium: density functional theory calculations (2011) (23)
- Defect Chemistry and Li-ion Diffusion in Li2RuO3 (2019) (23)
- Structure of Sn1−xGex random alloys as obtained from the coherent potential approximation (2011) (23)
- New atomic scale simulation models for hydroxides and oxyhydroxides (2006) (23)
- Robust Inorganic Hole Transport Materials for Organic and Perovskite Solar Cells: Insights into Materials Electronic Properties and Device Performance (2020) (23)
- Formation and evolution of oxygen-vacancy clusters in lead and tin doped silicon (2012) (23)
- Learning Driver Braking Behavior Using Smartphones, Neural Networks and the Sliding Correlation Coefficient: Road Anomaly Case Study (2018) (23)
- Defects and Dopants in CaFeSi2O6: Classical and DFT Simulations (2020) (23)
- Anomaly detection in time series data using a combination of wavelets, neural networks and Hilbert transform (2015) (22)
- Modelling zirconium hydrides using the special quasirandom structure approach. (2013) (22)
- Impact of doping on the ionic conductivity of ceria: a comprehensive model. (2013) (21)
- Vacancy-oxygen defects in silicon: the impact of isovalent doping (2014) (21)
- Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments (2016) (21)
- Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments (2016) (21)
- Li3SbO4 lithium-ion battery material: Defects, lithium ion diffusion and tetravalent dopants (2019) (21)
- Defects, Dopants and Lithium Mobility in Li9V3(P2O7)3(PO4)2 (2018) (21)
- Hydrogen and nitrogen codoping of anatase TiO2 for efficiency enhancement in organic solar cells (2017) (21)
- Insights into the physical properties of a new 211 MAX phase Nb2CuC (2021) (20)
- Modelling solid solutions with cluster expansion, special quasirandom structures, and thermodynamic approaches (2017) (20)
- Defects, Lithium Mobility and Tetravalent Dopants in the Li3NbO4 Cathode Material (2019) (20)
- Insights into the physical properties of a new 211 MAX phase Nb2CuC (2021) (20)
- Diffusion in energy materials: Governing dynamics from atomistic modelling (2017) (20)
- A thermodynamic approach to self-diffusion in silicon: Evidence of a single diffusion mechanism? (2016) (20)
- Influence of planar and point defects on the basal-plane conductivity of HoBaCuO single crystals (2015) (20)
- Effect of carbon on dopant–vacancy pair stability in germanium (2011) (19)
- Atomic scale simulations of donor–vacancy pairs in germanium (2007) (19)
- 312 MAX Phases: Elastic Properties and Lithiation (2019) (18)
- Adsorption of lead on the surfaces of pristine and B, Si and N-doped graphene (2021) (18)
- Special quasirandom structures for gadolinia-doped ceria and related materials. (2012) (18)
- Effects of Al substitution by Si in Ti3AlC2 nanolaminate (2021) (17)
- Reactor pressure vessel embrittlement: Insights from neural network modelling (2018) (17)
- Defect configurations of high- k cations in germanium (2012) (17)
- Na3V(PO4)2 cathode material for Na ion batteries: Defects, dopants and Na diffusion (2019) (17)
- Influence of atomic structure on the nano-nickel-based catalyst activity produced by solution combustion synthesis in the hydrogenation of maleic acid (2017) (17)
- Defect engineering of the oxygen-vacancy clusters formation in electron irradiated silicon by isovalent doping: An infrared perspective (2012) (16)
- G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach (2014) (16)
- Extrinsic doping in silicon revisited (2010) (16)
- Defect Chemistry and Na-Ion Diffusion in Na3Fe2(PO4)3 Cathode Material (2019) (16)
- Doping strategies to control A-centres in silicon: insights from hybrid density functional theory. (2014) (16)
- Optimized hydrogen positions for aluminium and iron containing hydroxide minerals (2007) (15)
- Modification of superconducting and resistive properties of HoBa2Cu3O7−δ single crystals under application-removal of high hydrostatic pressure (2016) (15)
- Fluctuation conductivity and possible pseudogap state in FeAs-based superconductor EuFeAsO0.85F0.15 (2015) (15)
- Special quasirandom structures for binary/ternary group IV random alloys (2010) (15)
- Modeling indium diffusion in germanium by connecting point defect parameters with bulk properties (2015) (15)
- Vacancy–indium clusters in implanted germanium (2010) (15)
- Connecting bulk properties of germanium with the behavior of self- and dopant diffusion (2015) (14)
- Toward Defect Engineering Strategies to Optimize Energy and Electronic Materials (2017) (14)
- Describing oxygen self-diffusion in PuO2 by connecting point defect parameters with bulk properties (2015) (14)
- Elastic behaviour and radiation tolerance in Nb-based 211 MAX phases (2020) (14)
- Self-diffusion in garnet-type Li7La3Zr2O12 solid electrolytes (2021) (14)
- Preparation of hydrogen, fluorine and chlorine doped and co-doped titanium dioxide photocatalysts: a theoretical and experimental approach (2021) (14)
- Different diffusion mechanisms of oxygen in ReBa 2 Cu 3 O 7-x (Re = Y, Ho) single crystals (2017) (14)
- Interaction of oxygen vacancies in yttrium germanates. (2012) (13)
- Doping and cluster formation in diamond (2011) (13)
- Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels (2016) (13)
- LOCALIZATION EFFECT AND PSEUDOGAP IN PRASEODYMIUM DOPED Y1-zPrzBa2Cu3O7-δ SINGLE CRYSTALS (2012) (13)
- Ultrafast palladium diffusion in germanium (2015) (13)
- Carbon, oxygen and intrinsic defect interactions in germanium-doped silicon (2011) (13)
- Defect engineering strategies for germanium (2013) (13)
- The encapsulation selectivity for anionic fission products imparted by an electride (2019) (13)
- Co-doping with antimony to control phosphorous diffusion in germanium (2013) (13)
- Impact of isovalent doping on radiation defects in silicon (2013) (13)
- Synthesis and physical properties of ( Zr 1 x , Ti x ) 3 AlC 2 MAX phases (2017) (13)
- Production and evolution of A-centers in n-type Si1−xGex (2013) (12)
- Technetium Encapsulation by A Nanoporous Complex Oxide 12CaO•7Al2O3 (C12A7) (2019) (12)
- Numerical investigation on the operation and energy demand of a seven-stage metal hydride hydrogen compression system for Hydrogen Refuelling Stations (2020) (12)
- Phosphorous–vacancy–oxygen defects in silicon (2013) (12)
- Defect Process, Dopant Behaviour and Li Ion Mobility in the Li2MnO3 Cathode Material (2019) (12)
- Defects, Diffusion, and Dopants in Li2Ti6O13: Atomistic Simulation Study (2019) (11)
- Electronic properties of the Sn1−xPbxO alloy and band alignment of the SnO/PbO system: a DFT study (2020) (11)
- Effect of trivalent dopants on local coordination and electronic structure in crystalline and amorphous ZnO (2014) (11)
- Diffusion and Dopant Activation in Germanium: Insights from Recent Experimental and Theoretical Results (2019) (11)
- Defect, Diffusion and Dopant Properties of NaNiO2: Atomistic Simulation Study (2019) (10)
- Electronic structures, bonding natures and defect processes in Sn-based 211 MAX phases (2019) (10)
- Antisites and anisotropic diffusion in GaAs and GaSb (2013) (10)
- Electronegativity and doping in Si1-xGex alloys (2020) (10)
- Ab initio modeling of MAX phase solid solutions using the special quasirandom structure approach. (2018) (10)
- Copper diffusion in germanium: connecting point defect parameters with bulk properties (2015) (10)
- Defect pair formation in fluorine and nitrogen codoped TiO2 (2018) (10)
- Stress-enhanced lithiation in MAX compounds for battery applications (2017) (10)
- Electronic structures, bonding natures and defect processes in Sn-based 211 MAX phases (2019) (10)
- Defect processes of M3AlC2 (M = V, Zr, Ta, Ti) MAX phases (2017) (9)
- Impact of boron and indium doping on the structural, electronic and optical properties of SnO2 (2021) (9)
- Mechanisms of nonstoichiometry in HfN1−x (2009) (9)
- Erratum “Impact of isovalent doping on the trapping of vacancy and interstitial related defects in Si” [J. Appl. Phys. 113, 113506 (2013)] (2013) (9)
- Interaction of n-type dopants with oxygen in silicon and germanium (2012) (9)
- Impact of isovalent doping on the formation of the CiOi(SiI)n defects in silicon (2017) (9)
- Defect processes of M3AlC2 (M = V, Zr, Ta, Ti) MAX phases (2017) (9)
- VV and VO2 defects in silicon studied with hybrid density functional theory (2015) (8)
- Ru-Doped Single Walled Carbon Nanotubes as Sensors for SO2 and H2S Detection (2021) (8)
- Mg diffusion in Si on a thermodynamic basis (2018) (8)
- Impact of isovalent defect engineering strategies on carbon-related clusters in silicon (2013) (8)
- Migration of sodium and lithium interstitials in anatase TiO2 (2018) (8)
- Migration of sodium and lithium interstitials in anatase TiO2 (2018) (8)
- Intrinsic defect processes in bixbyite sesquioxides (2007) (8)
- A carbon-doped tantalum dioxyfluoride as a superior electron transport material for high performance organic optoelectronics (2020) (8)
- Mg6MnO8 as a Magnesium-Ion Battery Material: Defects, Dopants and Mg-Ion Transport (2019) (8)
- Infrared studies of the evolution of the CiOi(SiI) defect in irradiated Si upon isothermal anneals (2016) (8)
- Encapsulation of heavy metals by a nanoporous complex oxide 12CaO · 7Al2O3 (2019) (8)
- The CiOi(SiI)2 defect in silicon: density functional theory calculations (2017) (8)
- Antisites in III-V semiconductors: Density functional theory calculations (2014) (8)
- Oxygen diffusion in germanium: interconnecting point defect parameters with bulk properties (2015) (8)
- Defect processes in Li2ZrO3: insights from atomistic modelling (2017) (8)
- Investigation of oxygen self-diffusion in PuO2 by combining molecular dynamics with thermodynamic calculations (2016) (8)
- Excess Conductivity of Y0.95Pr0.05Ba2Cu3O7-xSingle Crystals (2007) (8)
- Probabilistic kernel machines for predictive monitoring of weld residual stress in energy systems (2018) (8)
- Palladium diffusion in germanium (2015) (8)
- Impact of oxygen on the diffusion of silicon in germanium: density functional theory calculations (2010) (7)
- Effect of electron irradiation on the fluctuation conductivity in YBa2Cu3O7−δ single crystals (2018) (7)
- Materials Science and Engineering B (2011) (7)
- Interaction of metal impurities with native oxygen defects in GeO2 (2013) (7)
- Defect Chemistry, Sodium Diffusion and Doping Behaviour in NaFeO2 Polymorphs as Cathode Materials for Na-Ion Batteries: A Computational Study (2019) (7)
- Cadmium trapping by C60 and B-, Si-, and N-doped C60 (2019) (7)
- Germanium diffusion in aluminium: connection between point defect parameters with bulk properties (2015) (6)
- Encapsulation of cadmium telluride nanocrystals within single walled carbon nanotubes (2019) (6)
- Optimizing oxygen diffusion in cathode materials for solid oxide fuel cells (2012) (6)
- Thermodynamic modelling of fast dopant diffusion in Si (2018) (6)
- METAL–INSULATOR TRANSITION AND THE TEMPERATURE OF THE PSEUDOGAP ANOMALY OPENING IN PRASEODYMIUM DOPED Y1-zPrzBa2Cu3O7-δ SINGLE CRYSTALS (2013) (6)
- Dopant-defect interactions in Ge: Density functional theory calculations (2012) (6)
- Charge and heat transfer of the Ti3AlC2 MAX phase (2018) (6)
- A Computational Study of Defects, Li-Ion Migration and Dopants in Li2ZnSiO4 Polymorphs (2019) (6)
- Infrared study of defects in nitrogen-doped electron irradiated silicon (2016) (6)
- Impact of the germanium concentration in the stability of E-centers and A-centers in Si1−xGex (2013) (6)
- Defect energetics in the SrTiO3-LaCrO3 system (2021) (6)
- Study on the operation and energy demand of dual-stage Metal Hydride Hydrogen Compressors under effective thermal management (2021) (6)
- Behavior of Li-ion on the surface of Ti3C2–T (T = O, S, Se, F, Cl, Br) MXene: Diffusion barrier and conductive pathways (2021) (6)
- Atomistic Simulations of the Defect Chemistry and Self-Diffusion of Li-ion in LiAlO2 (2019) (6)
- Defect Processes in Halogen Doped SnO2 (2021) (5)
- Defect, transport, and dopant properties of andradite garnet Ca3Fe2Si3O12 (2020) (5)
- Effect of Praseodymium Concentration on the Excess Conductivity Near the Critical Temperature of Y1−zPrzBa2Cu3O7−δ Single Crystals (2013) (5)
- A critical assessment of interatomic potentials for ceria with application to its elastic properties revisited (2013) (5)
- Oxygen aggregation kinetics, thermal donors and carbon-oxygen defect formation in silicon containing carbon and tin (2015) (5)
- Defect Properties and Lithium Incorporation in Li2ZrO3 (2021) (5)
- Tin diffusion in germanium: a thermodynamic approach (2017) (5)
- Scattering Processes of Normal and Fluctuating Carriers in ReBa_2Cu_3O_{7-δ} (Re = Y, Ho) Single Crystals with Unidirectional Twin Boundaries (2007) (5)
- Stability of impurity–vacancy pairs in germanium carbide (2008) (5)
- Defect volumes of BO2 doped Y2O3 (B = Ti, Zr, Hf and Ce) (2010) (4)
- Stability of Coinage Metals Interacting with C60 (2019) (4)
- Mg-ion diffusion on the surface of Ti3C2S2 MXene (2022) (4)
- CO2 capture by Li‐functionalized silicene (2016) (4)
- INFLUENCE OF INTRINSIC PINNING ON THE RESISTIVE PROPERTIES OF YBa2Cu3O7-δ SINGLE CRYSTALS (2013) (4)
- Enhanced oxygen diffusion in nano-structured ceria (2018) (4)
- Localised vibrational mode spectroscopy studies of self-interstitial clusters in neutron irradiated silicon (2013) (4)
- Transverse resistance of YBa2Cu3O7-δ single crystals (2015) (4)
- Hydrogen Adsorption on Ru-Encapsulated, -Doped and -Supported Surfaces of C60 (2020) (4)
- Electronegativity and doping in semiconductors (2012) (4)
- Defects, dopants and lithium incorporation in LiPON electrolyte (2022) (4)
- Oxygen self-diffusion in apatites (2012) (4)
- Gold and silver diffusion in germanium: a thermodynamic approach (2016) (4)
- Theoretical Modeling of Defects, Dopants, and Diffusion in the Mineral Ilmenite (2019) (4)
- Diffusion coalescence in НоBa2Cu3O7−x single crystals under the application of hydrostatic pressure (2017) (4)
- The CiCs(SiI)n Defect in Silicon from a Density Functional Theory Perspective (2018) (4)
- Lithium Storage in Nanoporous Complex Oxide 12CaO•7Al2O3 (C12A7) (2020) (4)
- Oxygen-vacancy defects in electron-irradiated Si: the role of carbon in their behavior (2014) (4)
- Vacancy-oxygen defects in p-type Si1−xGex (2014) (4)
- Di-interstitial defect in silicon revisited (2013) (4)
- Structural, defect, transport and dopant properties of AgNbO 3 (2020) (3)
- Solution mechanisms for Li2O in Sc2O3, Y2O3 and La2O3 (2005) (3)
- Computer modeling investigation of MgV2O4 for Mg-ion batteries (2020) (3)
- 1.02 – Fundamental Point Defect Properties in Ceramics (2012) (3)
- Impact of local composition on the energetics of E-centres in Si1−xGex alloys (2019) (3)
- Li-diffusion pathways in Zr2CO2 and Zr2CS2 MXenes using the Bond Valence Sum model (2022) (3)
- Influence of thermal cycling on the optical and the electrical properties of atmospheric pressure chemical vapor deposited tin oxide films grown using water and methanol vapors as oxidizers (2021) (3)
- Impact of Carbon on the Diffusion of Donor Atoms in Germanium (2009) (3)
- Self-Diffusion in Perovskite and Perovskite Related Oxides: Insights from Modelling (2020) (3)
- Infrared signals correlated with self-interstitial clusters in neutron-irradiated silicon (2013) (3)
- DFT insights into the electronic structure, mechanical behaviour, lattice dynamics and defect processes in the first Sc-based MAX phase Sc2SnC (2021) (3)
- Defects, diffusion, dopants and encapsulation of Na in NaZr2(PO4)3 (2021) (3)
- Controlling A-center concentration in silicon through isovalent doping: mass action analysis (2016) (3)
- Defect interactions in Sn 1- x Ge x random alloys (2009) (3)
- Relaxation effect of pressure on the pseudogap in oxygen underdoped HoBa2Cu3O7−δ single crystals (2013) (3)
- Encapsulation and substitution of Fe in C12A7 (12CaO⋅7Al2O3) (2020) (3)
- Isovalent doping and the CiOi defect in germanium (2018) (3)
- Interstitialcy diffusion of oxygen in tetragonal La 2 CoO 4 + d (2010) (3)
- Silicon diffusion in germanium described by connecting point defect parameters with bulk properties (2015) (3)
- The Interstitial Carbon–Dioxygen Center in Irradiated Silicon (2020) (3)
- The Effect of the Precursor Solution’s Pretreatment on the Properties and Microstructure of the SCS Final Nanomaterials (2019) (2)
- Phase stability and the arsenic vacancy defect in In (2011) (2)
- Grain Boundaries: Engineering Transport in Manganites by Tuning Local Nonstoichiometry in Grain Boundaries (Adv. Mater. 4/2019) (2019) (2)
- Modeling defect reactions processes to study the impact of carbon on the production and conversion of A-centers in silicon (2014) (2)
- Defects, diffusion and dopants in the ceramic mineral “Lime- Feldspar” (2021) (2)
- Mechanism of dopant-vacancy association in α-quartz GeO2 (2013) (2)
- Atomic structure and electronic properties of hydrogenated X (=C, Si, Ge, and Sn) doped TiO2: A theoretical perspective (2020) (2)
- Oxygen Diffusion in Ordered/Disordered Double Perovskites (2011) (2)
- Fundamental Point Defect Properties in Ceramics (2020) (2)
- Optimization of the hydrogen response characteristics of halogen-doped SnO2 (2023) (2)
- Electromagnetic excitation in complex materials (2014) (2)
- Ion incorporation on the Zr2CS2 MXene monolayer towards better-performing rechargeable ion batteries (2022) (2)
- Influence of Uniform Compression on the Temperature Dependence of the Pseudogap of Medium-Praseodymium-Doped Y1−xPrxBa2Cu3O7−δ Single Crystals (2021) (2)
- Molecular dynamics study of oxygen diffusion in Pr 2 NiO 4 + d (2010) (2)
- Nitrogen-vacancy defects in germanium (2022) (2)
- Conductivity of YBCO ceramics in a wide range of temperatures and hafnium impurities concentrations (2016) (2)
- Ultrafast epitaxial growth of CuO nanowires using atmospheric pressure plasma with enhanced electrocatalytic and photocatalytic activities (2021) (2)
- Temperature dependence of the pseudogap in Y1−zPrzBa2Cu3O7−δ single crystals (2013) (2)
- Influence of defects on anisotropy of electrical resistivity in YBa2Cu3O7-δ\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{docume (2020) (2)
- Impact of oxygen on gallium doped germanium (2021) (2)
- COEXISTENCE OF DIFFERENT TYPES OF TRANSVERSE CONDUCTIVITY IN Y1-xPrxBa2Cu3 O7-δ SINGLE CRYSTALS WITH DIFFERENT PRASEODYMIUM CONCENTRATIONS (2013) (2)
- Response to “Comment on ‘Diffusion of n-type dopants in germanium’ ” [Appl. Phys. Rev. 2, 036101 (2015)] (2015) (2)
- Strategies to suppress A-center formation in silicon and germanium from a mass action analysis viewpoint (2014) (2)
- Encapsulation of volatile fission products in a two-dimensional dicalcium nitride electride (2020) (2)
- Effect of high pressure on temperature dependences of the resistivity in the ab-plane of Y0.77Pr0.23Ba2Cu3O7-δ single crystals (2022) (2)
- Atomic structure and electronic properties of hydrogenated X (=C, Si, Ge, and Sn) doped TiO2: A theoretical perspective (2020) (2)
- Modelling the Defect Processes of Materials for Energy Applications (2022) (1)
- Effect of hydrogen on the electrical resistance of NbSe2 in a wide temperature range (2021) (1)
- The Ci(SiI)n defect in neutron-irradiated silicon (2019) (1)
- O vacancy formation in (Pr/Gd)BaCo2O5.5 and the role of antisite defects. (2017) (1)
- Interstitial lithium doping in SrTiO3 (2021) (1)
- Modification by high pressure of fluctuation paraconductivity of underdoped HoBa2Cu3O7-δ single crystals (2016) (1)
- The CO V defect in neutron irradiated silicon: An infrared spectroscopy study (2018) (1)
- One-dimensional yttrium silicide electride (Y5Si3:e−) for encapsulation of volatile fission products (2021) (1)
- Structural, Electronic, and Optical Properties of Group 6 Doped Anatase TiO2: A Theoretical Approach (2021) (1)
- Defects, dopants and Mg diffusion in MgTiO3 (2019) (1)
- Defect and dopant properties in CaMnO3 (2021) (1)
- Composition variation and electron irradiation effects on the fluctuation conductivity in Y1–zPrzBa2Cu3O7−δ single crystals (2020) (1)
- Defect Processes in Germanium (2008) (1)
- Influence of high pressure on the temperature dependence of electrical resistivity of Y1-xPrxBa2Cu3O7-δ single crystals (2021) (1)
- Effect of Long Aging on the Resistivity Properties of Aluminum Doped YBa2Cu3−yAlyO7−δ Single Crystals with a Given Twin Boundary Topology (2014) (1)
- Engineering VO, CiOi and CiCs defects in irradiated Si through Ge and Pb doping (2015) (1)
- Influence of electron irradiation on fluctuation conductivity and pseudogap in YBa2Cu3O7−δ single crystals (2022) (1)
- Vacancy-Fluorine Clusters in Silicon (2011) (1)
- Vapor-Liquid-Solid Growth and Properties of One Dimensional PbO and PbO/SnO2 Nanowires (2022) (1)
- Substitutional carbon-dioxygen center in irradiated silicon (2021) (1)
- Effect of Hafnium Impurities on the Magnetoresistance of $$\hbox {YBa}_{2}\hbox {Cu}_{3}\hbox {O}_{7-\delta }$$YBa2Cu3O7-δ (2017) (1)
- Relative concentrations of carbon related defects in silicon (2016) (1)
- 312 MAX phases: Nuclear applications of M3AlC2 (2019) (1)
- Temperature and Ambient Band Structure Changes in SnO2 for the Optimization of Hydrogen Response (2023) (0)
- Effect of a liquid phase on the plastic deformation of MAX phase-based (Ti–Al–C) multicomponent ceramics (2020) (0)
- Intrinsic and extrinsic diffusion of indium in germanium Journal Item (2009) (0)
- Influence of defects on anisotropy of electrical resistivity in $$\hbox {YBa}_2\hbox {Cu}_3\hbox {O}_{7-\delta }$$ (2020) (0)
- Structure of Sn 1 2 xGex random alloys as obtained from the coherent potential approximation (2011) (0)
- Vacancy-oxygen defects in p-type Si 1 2 xGex (2014) (0)
- Tuning the electronic properties of C12A7 via Sn doping and encapsulation (2020) (0)
- E centers in ternary Si 1- x-y Ge x Sn y random alloys (2009) (0)
- Vacancy defects in nitrogen doped diamond (2023) (0)
- Defects, diffusion and dopants in Li8SnO6 (2021) (0)
- Li2SnO3 as a Cathode Material for Lithium-ion Batteries: Defects, Lithium Ion Diffusion and Dopants (2018) (0)
- Functionalized Graphene-Incorporated Cupric Oxide Charge-Transport Layer for Enhanced Photoelectrochemical Performance and Hydrogen Evolution (2023) (0)
- Computational modelling to enhance safety of operating nuclear power plants (2016) (0)
- Electrophysical properties of nanoporous cerium dioxide–water system (2016) (0)
- Pressure effect on the electrical resistance of Y0.77Pr0.23Ba2Cu3O7-δ single crystals (2020) (0)
- Fluctuation conductivity and pseudogap in single crystals under pressure with transport current flowing under an angle 45° to the twin boundaries (2014) (0)
- Relaxation of the electric resistance in YBa2Cu3O7-x single crystals at room temperature (2017) (0)
- Structure of Sn 1x Ge x random alloys as obtained from the coherent potential approximation Journal Item (2019) (0)
- Electron irradiation and annealing effects on the pseudogap in optimally doped YBCO single crystals (2020) (0)
- Electro- and Heat Transfer in $$\mathbf{Cd}_{\mathbf{0.22}}\mathbf{\hbox {Hg}}_{\mathbf{0.78}}{} \mathbf{Te}$$Cd0.22Hg0.78Te Single Crystals in the Temperature Range of Their Practical Applications (2017) (0)
- ’ s repository of research publications and other research outputs Molecular dynamics study of oxygen diffusion in (2016) (0)
- ’ s repository of research publications and other research outputs Special quasirandom structures for gadolinia-doped ceria and related materials Journal Item (2018) (0)
- Room-temperature deposited fluorine-doped tantalum pentoxide for stable organic solar cells (2022) (0)
- A Molecular Dynamics Study of Anisotropic Oxygen Diffusion in La2NiO4+δ (2009) (0)
- Oxygen migration in doped BaGdInO4 (2021) (0)
- Di ff usion and Dopant Activation in Germanium : Insights from Recent Experimental and Theoretical Results (2019) (0)
- Core–shell carbon-polymer quantum dot passivation for near infrared perovskite light emitting diodes (2022) (0)
- Defect Chemistry and Migration Processes in Disordered Oxides (2017) (0)
- Defect processes of Ti3AC2 MAX phases: Insights from atomistic modelling (2017) (0)
- The Open University ’ s repository of research publications and other research outputs Anisotropic oxygen diffusion in tetragonal La 2 NiO 4 + : molecular dynamics calculations (2016) (0)
- Defects and lithium migration in Li2CuO2 (2018) (0)
- Defects and lithium migration in Li 2 CuO 2 (2018) (0)
- Effect of annealing on a pseudogap state in untwinned YBa2Cu3O7−δ single crystals (2019) (0)
- Defects, Dopants and Lithium Mobility in Li9V3(P2O7)3(PO4)2 (2018) (0)
- Confinement of volatile fission products in the crystalline organic electride Cs+(15C5)2•e− (2022) (0)
- Association between oxygen vacancies and trivalent dopants in crystalline and amorphous ZnO (2014) (0)
- Effect of longitudinal magnetic field on the excess conductivity of monodomain YBa2Cu3O7-d single crystals (2016) (0)
- Doping and cluster formation in diamond Journal Item (2018) (0)
- Dinitrogen activation by zirconium dimer loaded C60 (2019) (0)
- Disordered Ionic Conductors (2016) (0)
- Molecular dynamics study of oxygen diffusion in Pr 2 NiO (2016) (0)
- Evolution of the metal–insulator transition in oxygen nonstoichiometric YBa2Cu3O7−δ single crystals under pressure (2013) (0)
- Fluorine effect on As diffusion in (2013) (0)
- Grain Boundary Diffusion in Fluorite Structured Oxides (2017) (0)
- Mayenite Electrides and Their Doped Forms for Oxygen Reduction Reaction in Solid Oxide Fuel Cells (2020) (0)
- Probing the electronic structure of fine and large-grained SnO2 layers by spectroscopic ellipsometry and current-voltage measurements (2021) (0)
- Effect of Structural Relaxation on the Metal–Insulator Transition in Heavily Underdoped YBa$$_2$$2Cu$$_3$$3O$$_{7-\delta }$$7-δ Single Crystals (2015) (0)
- Fluorine effect on As diffusion in Ge Journal Article (2016) (0)
- Defects, Dopants and Sodium Mobility in Na2MnSiO4 (2018) (0)
- Transverse resistance in HoBa2Cu3O7−δ single crystals (2015) (0)
- The Open University ’ s repository of research publications and other research outputs Molecular dynamics study of oxygen diffusion in Pr (2016) (0)
- Fluorine effect on As diffusion in Ge Journal Item (2018) (0)
- The Open University ’ s repository of research publications and other research outputs Fluorine effect on As diffusion in Ge Journal (2013) (0)
- Computational study of energy materials (2018) (0)
- Lithium diffusion in Li5FeO4 (2018) (0)
- Latest advances and comparative analysis of MXenes as anode and cathode electrodes in secondary batteries (2023) (0)
- Defects, Diffusion and Dopants in Sillimanite (2020) (0)
- Composition and temperature dependence of self-diffusion in Si1−xGex alloys (2017) (0)
- Impact of temperature and pressure on phase separation in the basal plane of Y0.77Pr0.23Ba2Cu3O7–δ single crystals (2022) (0)
- Impact of local composition on the energetics of E-centres in Si1−xGex alloys (2019) (0)
- Carbon Nanodots as Electron Transport Materials in Organic Light Emitting Diodes and Solar Cells (2022) (0)
- Defects and Calcium Diffusion in Wollastonite (2020) (0)
- Atomic-scale studies of garnet-type Mg3Fe2Si3O12: Defect chemistry, diffusion and dopant properties (2020) (0)
- Defects, Lithium Mobility and Tetravalent Dopants in the Li3NbO4 Cathode Material (2019) (0)
- Lanthanide doping and external parameters in RBa2Cu3O7–δ superconductors: A brief review (2023) (0)
- VV and V O 2 defects in silicon studied with hybrid density functional theory (2015) (0)
- The Open University ’ s repository of research publications and other research outputs Plasma engineering of graphene (2016) (0)
- Defect Chemistry and Li-ion Diffusion in Li2RuO3 (2019) (0)
- Resistive Investigation of Pseudogap State in Non‐stoichiometric LnBa2Cu3O7‐δ (Ln: Y, Ho) Single Crystals with Account for BCS—BEC Crossover. (2010) (0)
- Hydrogen and nitrogen codoping of anatase TiO2 for efficiency enhancement in organic solar cells (2017) (0)
- Effect of Structural Relaxation on the Metal–Insulator Transition in Heavily Underdoped YBa 2 Cu 3 O 7 − δ Single Crystals (2015) (0)
- A Heavily Substituted Manganite in an Ordered Nanocomposite for Long-Term Energy Applications (2021) (0)
- COMPUTER SIMULATION OF THE ATOMIC SCALE OF Y 1-X PR X BA 2 CU 3 O 6.5 COMPOUNDS (2006) (0)
- Stabilization of Zrn+1AlCn MAX Phases: Issues and Achievements (2016) (0)
- Effect of Hafnium Impurities on the Magnetoresistance of YBa2Cu3O7-δ\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\h (2016) (0)
- Publisher's Note: Phase stability and the arsenic vacancy defect in In x Ga 1-x As [Phys. Rev. B 84, 184108 (2011)] (2011) (0)
- Atomistic models for R1–xPrxBa2Cu3O7–δ (R = Y and lanthanides) and related oxides (2009) (0)
- A molecular dynamics study of anisotropic oxygen diffusion in La 2 NiO 4+[delta] (2009) (0)
- Formation of atomic fluorine anions in 12CaO·7Al2O3 (2021) (0)
- Comparative Study of Oxygen- and Carbon-Related Defects in Electron Irradiated Cz–Si Doped with Isovalent Impurities (2022) (0)
- Defects, Lithium Ion Diffusion and Trivalent Dopants in Li2MnO2 (2019) (0)
- Appendix – Atomic-scale computer simulation of functional materials: methodologies and applications (2012) (0)
- Seventy-Five Years since the Point-Contact Transistor: Germanium Revisited (2022) (0)
- Modification by high pressure of fluctuation paraconductivity of underdoped НоBa 2 Cu 3 O 7-δ single crystals (2017) (0)
- Defects and dopant properties of Li3V2(PO4)3 (2019) (0)
- Semi-empirical modelling of the di-interstitial defect in silicon (2014) (0)
- Effect of Long Aging on the Resistivity Properties of Aluminum Doped YBa2Cu3−yAlyO7−δ Single Crystals with a Given Twin Boundary Topology (2013) (0)
- Self-diffusion in garnet-type Li7La3Zr2O12 solid electrolytes (2021) (0)
- Effect of Praseodymium Concentration on the Excess Conductivity Near the Critical Temperature of Y1−zPrzBa2Cu3O7−δ Single Crystals (2012) (0)
- M3AlC2 MAX phases for nuclear applications (2017) (0)
- Diffusion of the superconducting transition in HTSC (2017) (0)
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