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Title: Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H 2 on Ag(111)

Journal Article · · Physical Review Letters

Not provided.

Research Organization:
Yale Univ., New Haven, CT (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
FG02-05ER15677
OSTI ID:
1536520
Journal Information:
Physical Review Letters, Vol. 118, Issue 25; ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

References (42)

Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born–Oppenheimer approximation for surface chemistry? journal October 2004
Non-adiabaticity in surface chemical reactions journal June 2009
Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface journal November 2009
Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption journal November 2015
Chemically Induced Electronic Excitations at Metal Surfaces journal December 2001
Electronically Nonadiabatic Processes in the Interaction of H with a Au Surface Revealed Using MIM Junctions: The Temperature Dependence journal March 2013
Continuous Hot Electron Generation in Pt/TiO 2 , Pd/TiO 2 , and Pt/GaN Catalytic Nanodiodes from Oxidation of Carbon Monoxide journal December 2005
Hot Electrons Do the Impossible: Plasmon-Induced Dissociation of H 2 on Au journal December 2012
Hot-Electron-Mediated Surface Chemistry: Toward Electronic Control of Catalytic Activity journal July 2015
The effect of hot electrons and surface plasmons on heterogeneous catalysis journal May 2016
Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111) journal November 2009
On the Role of Electronic Friction for Dissociative Adsorption and Scattering of Hydrogen Molecules at a Ru(0001) Surface journal June 2013
Quantum and classical dynamics of reactive scattering of H 2 from metal surfaces journal January 2016
Electronic Friction Dominates Hydrogen Hot-Atom Relaxation on Pd(100) journal March 2014
Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces journal March 2008
Electron–Hole Pair Effects in Polyatomic Dissociative Chemisorption: Water on Ni(111) journal January 2016
Comment on “Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces” journal March 2009
How adiabatic is activated adsorption/associative desorption? journal August 2005
Molecular-dynamics simulation of hydrogen diffusion in palladium journal December 1992
Nonlinear stopping power of an electron gas for slow ions journal February 1986
Electronic Damping of Atomic and Molecular Vibrations at Metal Surfaces journal April 1984
Vibrational relaxation on metal surfaces: Molecular‐orbital theory and application to CO/Cu(100) journal March 1992
Energy Loss of Atoms at Metal Surfaces due to Electron-Hole Pair Excitations: First-Principles Theory of “Chemicurrents” journal April 2002
Vibrational lifetimes of cyanide and carbon monoxide on noble and transition metal surfaces journal October 2007
Electron–hole pairs during the adsorption dynamics of O 2 on Pd(100): exciting or not? journal August 2011
Ab initio tensorial electronic friction for molecules on metal surfaces: Nonadiabatic vibrational relaxation journal September 2016
Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces journal May 2016
Disentangling Multidimensional Nonequilibrium Dynamics of Adsorbates: CO Desorption from Cu(100) journal October 2016
Evidence for Electron–Hole Pair Excitation in the Associative Desorption of H 2 and D 2 from Au(111) journal March 2017
Dynamics of H 2 dissociation on the close-packed (111) surface of the noblest metal: H 2 + Au(111) journal October 2016
A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit journal January 2016
Mixed Quantum-Classical Dynamics Using Collective Electronic Variables: A Better Alternative to Electronic Friction Theories journal January 2017
Molecular dynamics with electronic frictions journal December 1995
Ab initio molecular simulations with numeric atom-centered orbitals journal November 2009
Generalized Gradient Approximation Made Simple journal October 1996
Effects of electronic relaxation processes on vibrational linewidths of adsorbates on surfaces: The case of CO/Cu(100) journal December 2016
Accurate sampling using Langevin dynamics journal May 2007
An object-oriented scripting interface to a legacy electronic structure code journal January 2002
Ab initio molecular dynamics with simultaneous electron and phonon excitations: Application to the relaxation of hot atoms and molecules on metal surfaces journal November 2015
Surface electron density models for accurate ab initio molecular dynamics with electronic friction journal June 2016
Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation journal July 2015
Six-dimensional quantum dynamics for dissociative chemisorption of H 2 and D 2 on Ag(111) on a permutation invariant potential energy surface journal January 2014

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