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Electronic friction dominates hydrogen hot-atom relaxation on Pd(100)

Physical review letters, 2014-03, Vol.112 (10), p.103203-103203, Article 103203

2014

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Towards bond selective chemistry from first principles: methane on metal surfaces

Physical review letters, 2014-01, Vol.112 (4), p.046101-046101, Article 046101

2014

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Dissociative and non-dissociative adsorption of O2 on Cu(111) and CuML/Ru(0001) surfaces: adiabaticity takes over

Physical chemistry chemical physics : PCCP, 2017-04, Vol.19 (16), p.1217-1221

2017

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Chain-Length and Temperature Dependence of Self-Assembled Monolayers of Alkylthiolates on Au(111) and Ag(111) Surfaces

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-06, Vol.118 (23), p.4138-4146

2014

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H2 dissociation on individual Pd atoms deposited on Cu(111)

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (1), p.33-31

2012

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Trapping, molecular adsorption, and precursors for nonactivated chemisorption

Physical review letters, 2004-12, Vol.93 (23), p.236103.1-236103.4, Article 236103

2004

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DFT Study of Dissociative Adsorption of Hydrogen Sulfide on Cu(111) and Au(111)

Langmuir, 2008-12, Vol.24 (24), p.14022-14026

2008

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Site-Specific Product Selectivity of Stepped Pt Surfaces for Methane Dehydrogenation

Journal of physical chemistry. C, 2020-09, Vol.124 (36), p.19649-19654

2020

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Dissociative dynamics of spin-triplet and spin-singlet O2 on Ag(100)

The Journal of chemical physics, 2008-12, Vol.129 (22), p.224702-224702

2008

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Representation of the 6D potential energy surface for a diatomic molecule near a solid surface

The Journal of chemical physics, 2000-05, Vol.112 (17), p.7641-7651

2000

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Environment-driven reactivity of H2 on PdRu surface alloys

Physical chemistry chemical physics : PCCP, 2013-09, Vol.15 (36), p.14936-14940

2013

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Adsorption dynamics of H2 on Pd(100) from first principles

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (27), p.5814-5822

2009

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Commensurate Solid–Solid Phase Transitions in Self-Assembled Monolayers of Alkylthiolates Lying on Metal Surfaces

Journal of the American Chemical Society, 2012-08, Vol.134 (32), p.13224-13227

2012

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Cutting a chemical bond with demon's scissors: Mode- and bond-selective reactivity of methane on metal surfaces

Surface science, 2015-10, Vol.640, p.25-35

2015

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Theoretical study of hydrogen dissociative adsorption on strained pseudomorphic monolayers of Cu and Pd deposited onto a Ru(0001) substrate

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (33), p.7303-7311

2009

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The Reaction Pathways for HSCH3 Adsorption on Au(111): A Density Functional Theory Study

Langmuir, 2008-04, Vol.24 (7), p.3274-3279

2008

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Normal and off-normal incidence dissociative dynamics of O2(v,J) on ultrathin Cu films grown on Ru(0001)

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (13), p.7768-7776

2021

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Role of electron-hole pair excitations in the dissociative adsorption of diatomic molecules on metal surfaces

Physical review letters, 2008-03, Vol.100 (11), p.116102-116102, Article 116102

2008

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Normal and off-normal incidence dissociative dynamics of O 2 (v,J) on ultrathin Cu films grown on Ru(0001)

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (13), p.7768-7776

2021

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Study of the interaction between short alkanethiols from ab initio calculations

Physical chemistry chemical physics : PCCP, 2010-07, Vol.12 (27), p.7555-7565

2010

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Theoretical study of the structure of self-assembled monolayers of short alkylthiolates on Au(111) and Ag(111): the role of induced substrate reconstruction and chain―chain interactions

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (20), p.9353-9362

2011

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Dissociative Sticking Probability of Methane on Pt(110)-(2×1)

Journal of physical chemistry. C, 2021-06, Vol.125 (22), p.11904-11915

2021

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Site Selective Detection of Methane Dissociation on Stepped Pt Surfaces

Topics in catalysis, 2019-09, Vol.62 (12-16), p.859-873

2019

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Classical dynamics study of atomic oxygen sticking on the β-cristobalite (1 0 0) surface

Surface science, 2008-02, Vol.602 (4), p.975-985

2008

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Insights into the Nature of Formate Species in the Decomposition and Reaction of Methanol over Cerium Oxide Surfaces: A Combined Infrared Spectroscopy and Density Functional Theory Study

Journal of physical chemistry. C, 2015-09, Vol.119 (37), p.21452-21464

2015

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Electronic friction dominates hydrogen hot-atom relaxation on Pd(100)

Towards bond selective chemistry from first principles: methane on metal surfaces

Dissociative and non-dissociative adsorption of O2 on Cu(111) and CuML/Ru(0001) surfaces: adiabaticity takes over

Chain-Length and Temperature Dependence of Self-Assembled Monolayers of Alkylthiolates on Au(111) and Ag(111) Surfaces

H2 dissociation on individual Pd atoms deposited on Cu(111)

Trapping, molecular adsorption, and precursors for nonactivated chemisorption

DFT Study of Dissociative Adsorption of Hydrogen Sulfide on Cu(111) and Au(111)

Site-Specific Product Selectivity of Stepped Pt Surfaces for Methane Dehydrogenation

Dissociative dynamics of spin-triplet and spin-singlet O2 on Ag(100)

Representation of the 6D potential energy surface for a diatomic molecule near a solid surface

Environment-driven reactivity of H2 on PdRu surface alloys

Adsorption dynamics of H2 on Pd(100) from first principles

Commensurate Solid–Solid Phase Transitions in Self-Assembled Monolayers of Alkylthiolates Lying on Metal Surfaces

Cutting a chemical bond with demon's scissors: Mode- and bond-selective reactivity of methane on metal surfaces

Theoretical study of hydrogen dissociative adsorption on strained pseudomorphic monolayers of Cu and Pd deposited onto a Ru(0001) substrate

The Reaction Pathways for HSCH3 Adsorption on Au(111): A Density Functional Theory Study

Normal and off-normal incidence dissociative dynamics of O2(v,J) on ultrathin Cu films grown on Ru(0001)

Role of electron-hole pair excitations in the dissociative adsorption of diatomic molecules on metal surfaces

Normal and off-normal incidence dissociative dynamics of O 2 (v,J) on ultrathin Cu films grown on Ru(0001)

Study of the interaction between short alkanethiols from ab initio calculations

Theoretical study of the structure of self-assembled monolayers of short alkylthiolates on Au(111) and Ag(111): the role of induced substrate reconstruction and chain―chain interactions

Dissociative Sticking Probability of Methane on Pt(110)-(2×1)

Site Selective Detection of Methane Dissociation on Stepped Pt Surfaces

Classical dynamics study of atomic oxygen sticking on the β-cristobalite (1 0 0) surface

Insights into the Nature of Formate Species in the Decomposition and Reaction of Methanol over Cerium Oxide Surfaces: A Combined Infrared Spectroscopy and Density Functional Theory Study

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