Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics

Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction

(2014) Francesco Nattino et al.   Journal of Physical Chemistry Letters

Vibrational Activation of Methane Chemisorption: The Role of Symmetry

(2014) P. Morten Hundt et al.   Journal of Physical Chemistry Letters

Towards Bond Selective Chemistry from First Principles: Methane on Metal Surfaces

(2014) X. J. Shen et al.   PHYSICAL REVIEW LETTERS

Vibrationally Promoted Dissociation of Water on Ni(111)

(2014) P. M. Hundt et al.   SCIENCE

Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface

(2013) Tianhui Liu et al.   JOURNAL OF CHEMICAL PHYSICS

The dissociative chemisorption of methane on Ni(100) and Ni(111): Classical and quantum studies based on the reaction path Hamiltonian

(2013) Michael Mastromatteo et al.   JOURNAL OF CHEMICAL PHYSICS

Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu(111): Quasi-seven-dimensional quantum dynamics on a refined potential energy surface

(2013) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) model

(2013) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

The dissociative chemisorption of methane on Ni(111): The effects of molecular vibration and lattice motion

(2013) Bret Jackson et al.   JOURNAL OF CHEMICAL PHYSICS

Dissociative Chemisorption of Methane on Pt(110)-(1×2): Effects of Lattice Motion on Reactions at Step Edges

(2013) Dongwon Han et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum state-resolved CH4 dissociation on Pt(111): coverage dependent barrier heights from experiment and density functional theory

(2013) Hirokazu Ueta et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mode selectivity in methane dissociative chemisorption on Ni(111)

(2013) Bin Jiang et al.   Chemical Science

Vibrationally bond-selected chemisorption of methane isotopologues on Pt(111) studied by reflection absorption infrared spectroscopy

(2012) Li Chen et al.   FARADAY DISCUSSIONS

Mode-specificity and transition state-specific energy redistribution in the chemisorption of CH4 on Ni{100}

(2012) Marco Sacchi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enhancing dissociative chemisorption of H2O on Cu(111) via vibrational excitation

(2012) B. Jiang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Vibrationally mediated bond selective dissociative chemisorption of HOD on Cu(111)

(2012) Bin Jiang et al.   Chemical Science

The dissociative chemisorption of methane on Ni(100): Reaction path description of mode-selective chemistry

(2011) Bret Jackson et al.   JOURNAL OF CHEMICAL PHYSICS

Mode-Specific Chemisorption of CH4 on Pt{110}-(1 × 2) Explored by First-Principles Molecular Dynamics

(2011) M. Sacchi et al.   Journal of Physical Chemistry C

Bond-selective energy redistribution in the chemisorption of CH3D and CD3H on Pt{110}-(1×2): A first-principles molecular dynamics study

(2011) M. Sacchi et al.   Computational and Theoretical Chemistry

State-resolved reactivity of CH4 on Pt(110)-(1×2): The role of surface orientation and impact site

(2010) Régis Bisson et al.   JOURNAL OF CHEMICAL PHYSICS

Methane dissociation and adsorption on Ni(111), Pt(111), Ni(100), Pt(100), and Pt(110)-(1×2): Energetic study

(2010) Sven Nave et al.   JOURNAL OF CHEMICAL PHYSICS

The temperature dependence of methane dissociation on Ni(111) and Pt(111): Mixed quantum-classical studies of the lattice response

(2010) Ashwani Kumar Tiwari et al.   JOURNAL OF CHEMICAL PHYSICS

Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH4 on Ni(111): a 15 dimensional study

(2010) Krishnamohan G. Prasanna et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vibrational mode-selective chemistry: Methane dissociation on Ni(100)

(2010) Sven Nave et al.   PHYSICAL REVIEW B

Steric Effects in the Chemisorption of Vibrationally Excited Methane on Ni(100)

(2010) B. L. Yoder et al.   SCIENCE

Mode selective chemistry at surfaces

(2009) Arthur L. Utz   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

Methane dissociation on Ni(111) and Pt(111): Energetic and dynamical studies

(2009) Sven Nave et al.   JOURNAL OF CHEMICAL PHYSICS

Surface Temperature Dependence of Methane Activation on Ni(111)

(2009) D. R. Killelea et al.   Journal of Physical Chemistry C

Methane Dissociation on Ni(111): A New Understanding of the Lattice Effect

(2009) Ashwani Kumar Tiwari et al.   PHYSICAL REVIEW LETTERS

State-resolved probes of methane dissociation dynamics

(2009) L.B.F. Juurlink et al.   PROGRESS IN SURFACE SCIENCE

Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111)

(2009) C. Diaz et al.   SCIENCE

Bond-Selective Control of a Heterogeneously Catalyzed Reaction

(2008) D. R. Killelea et al.   SCIENCE