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Interactions of platinum clusters with a graphite substrate

Physical chemistry chemical physics : PCCP, 2013-07, Vol.15 (28), p.11950-11959

2013

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Effects of Confinement on Water Structure and Dynamics: A Molecular Simulation Study

Journal of physical chemistry. C, 2007-02, Vol.111 (4), p.1709-1715

2007

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Theoretical Studies To Understand Surface Chemistry on Carbon Anodes for Lithium-Ion Batteries: Reduction Mechanisms of Ethylene Carbonate

Journal of the American Chemical Society, 2001-11, Vol.123 (47), p.11708-11718

2001

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Computational Studies of Interfacial Reactions at Anode Materials: Initial Stages of the Solid-Electrolyte-Interphase Layer Formation

Journal of electrochemical energy conversion and storage, 2016-08, Vol.13 (3)

2016

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Oxygen evolution in Co-doped RuO2 and IrO2: Experimental and theoretical insights to diminish electrolysis overpotential

Journal of power sources, 2014-12, Vol.268, p.69-76

2014

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Phase Behavior of Methane–Ethane Mixtures in Nanopores

Industrial & engineering chemistry research, 2017-10, Vol.56 (40), p.11634-11643

2017

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Understanding catalysed growth of single-wall carbon nanotubes

Nanotechnology, 2005-07, Vol.16 (7), p.S575-S581

2005

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Investigation of Corannulene for Molecular Hydrogen Storage via Computational Chemistry and Experimentation

The journal of physical chemistry. B, 2006-04, Vol.110 (15), p.7688-7694

2006

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Computational Investigation of Adsorption of Molecular Hydrogen on Lithium-Doped Corannulene

The journal of physical chemistry. B, 2006-11, Vol.110 (45), p.22532-22541

2006

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Theoretical Analysis of Oxygen Adsorption on Pt-Based Clusters Alloyed with Co, Ni, or Cr Embedded in a Pt Matrix

The journal of physical chemistry. B, 2003-12, Vol.107 (49), p.13671-13680

2003

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Combined density functional theory/kinetic Monte Carlo investigation of surface morphology during cycling of Li-Cu electrodes

Electrochimica acta, 2021-11, Vol.397 (C), p.139272, Article 139272

2021

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Addition Reactions of Alkyl and Carboxyl Radicals to Vinylidene Fluoride

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-05, Vol.112 (19), p.4483-4489

2008

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Effects of Confinement on Small Water Clusters Structure and Proton Transport

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-10, Vol.111 (42), p.10722-10731

2007

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DFT analysis of Li intercalation mechanisms in the Fe-phthalocyanine cathode of Li-ion batteries

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (2), p.743-752

2014

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Challenges of modelling real nanoparticles: Ni@Pt electrocatalysts for the oxygen reduction reaction

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (42), p.28286-28297

2015

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Theoretical Study on the Properties of Linear and Cyclic Amides in Gas Phase and Water Solution

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-07, Vol.110 (29), p.9183-9193

2006

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Theoretical and experimental investigations of the Li storage capacity in single-walled carbon nanotube bundles

RSC advances, 2016-01, Vol.6 (33), p.27260-27266

2016

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Organic molecule-functionalized Zn3P2 nanowires for photochemical H2 production: DFT and experimental analyses

International journal of hydrogen energy, 2014-12, Vol.39 (35), p.19887-19898

2014

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Surface segregation phenomena in Pt-Pd nanoparticles: dependence on nanocluster size

Molecular simulation, 2006-03, Vol.32 (3-4), p.297-303

2006

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Evolution of Pt and Pt-Alloy Catalytic Surfaces Under Oxygen Reduction Reaction in Acid Medium

Topics in catalysis, 2012-06, Vol.55 (5-6), p.322-335

2012

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Modeling solid-electrolyte interfacial phenomena in silicon anodes

Current opinion in chemical engineering, 2016-08, Vol.13 (C), p.179-185

2016

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Examination of the Approximations Used in Determining the Isosteric Heat of Adsorption from the Clausius−Clapeyron Equation

Langmuir, 1998-10, Vol.14 (21), p.6323-6327

1998

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Unveiling the interaction of reactions and phase transition during thermal abuse of Li-ion batteries

Journal of power sources, 2022-02, Vol.522, p.230881, Article 230881

2022

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Effect of Confinement on Pressure/Volume/Temperature Properties of Hydrocarbons in Shale Reservoirs

SPE journal (Society of Petroleum Engineers (U.S.) : 1996), 2016-04, Vol.21 (2), p.621-634

2016

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Combined density functional theory/kinetic Monte Carlo investigation of surface morphology during cycling of Li-Cu electrodes

Electrochimica acta, 2021-09, Vol.397

2021

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Interactions of platinum clusters with a graphite substrate

Effects of Confinement on Water Structure and Dynamics: A Molecular Simulation Study

Theoretical Studies To Understand Surface Chemistry on Carbon Anodes for Lithium-Ion Batteries: Reduction Mechanisms of Ethylene Carbonate

Computational Studies of Interfacial Reactions at Anode Materials: Initial Stages of the Solid-Electrolyte-Interphase Layer Formation

Oxygen evolution in Co-doped RuO2 and IrO2: Experimental and theoretical insights to diminish electrolysis overpotential

Phase Behavior of Methane–Ethane Mixtures in Nanopores

Understanding catalysed growth of single-wall carbon nanotubes

Investigation of Corannulene for Molecular Hydrogen Storage via Computational Chemistry and Experimentation

Computational Investigation of Adsorption of Molecular Hydrogen on Lithium-Doped Corannulene

Theoretical Analysis of Oxygen Adsorption on Pt-Based Clusters Alloyed with Co, Ni, or Cr Embedded in a Pt Matrix

Combined density functional theory/kinetic Monte Carlo investigation of surface morphology during cycling of Li-Cu electrodes

Addition Reactions of Alkyl and Carboxyl Radicals to Vinylidene Fluoride

Effects of Confinement on Small Water Clusters Structure and Proton Transport

DFT analysis of Li intercalation mechanisms in the Fe-phthalocyanine cathode of Li-ion batteries

Challenges of modelling real nanoparticles: Ni@Pt electrocatalysts for the oxygen reduction reaction

Theoretical Study on the Properties of Linear and Cyclic Amides in Gas Phase and Water Solution

Theoretical and experimental investigations of the Li storage capacity in single-walled carbon nanotube bundles

Organic molecule-functionalized Zn3P2 nanowires for photochemical H2 production: DFT and experimental analyses

Surface segregation phenomena in Pt-Pd nanoparticles: dependence on nanocluster size

Evolution of Pt and Pt-Alloy Catalytic Surfaces Under Oxygen Reduction Reaction in Acid Medium

Modeling solid-electrolyte interfacial phenomena in silicon anodes

Examination of the Approximations Used in Determining the Isosteric Heat of Adsorption from the Clausius−Clapeyron Equation

Unveiling the interaction of reactions and phase transition during thermal abuse of Li-ion batteries

Effect of Confinement on Pressure/Volume/Temperature Properties of Hydrocarbons in Shale Reservoirs

Combined density functional theory/kinetic Monte Carlo investigation of surface morphology during cycling of Li-Cu electrodes

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