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

Maurer, Reinhard J.; Jiang, Bin; Guo, Hua; Tully, John C.

doi:10.1103/PhysRevLett.118.256001

Title: Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: $H_{2}$ on Ag(111)

Journal Article · Fri Jun 23 00:00:00 EDT 2017 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.118.256001· OSTI ID:1366339

Maurer, Reinhard J.; Jiang, Bin; Guo, Hua; Tully, John C.

View Accepted Manuscript (Publisher)

Cite

Export

Save

Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-05ER15677

OSTI ID:: 1366339

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Vol. 118 Journal Issue: 25; ISSN 0031-9007

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 53 works

Citation information provided by
Web of Science

References (38)

Six-dimensional quantum dynamics for dissociative chemisorption of H ₂ and D ₂ on Ag(111) on a permutation invariant potential energy surface Jiang, Bin; Guo, Hua Phys. Chem. Chem. Phys., Vol. 16, Issue 45 https://doi.org/10.1039/C4CP03761H	journal	January 2014
Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface Shenvi, N.; Roy, S.; Tully, J. C. Science, Vol. 326, Issue 5954 https://doi.org/10.1126/science.1179240	journal	November 2009
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Mixed Quantum-Classical Dynamics Using Collective Electronic Variables: A Better Alternative to Electronic Friction Theories Ryabinkin, Ilya G.; Izmaylov, Artur F. The Journal of Physical Chemistry Letters, Vol. 8, Issue 2 https://doi.org/10.1021/acs.jpclett.6b02712	journal	January 2017
Disentangling Multidimensional Nonequilibrium Dynamics of Adsorbates: CO Desorption from Cu(100) Inoue, Ken-ichi; Watanabe, Kazuya; Sugimoto, Toshiki Physical Review Letters, Vol. 117, Issue 18 https://doi.org/10.1103/PhysRevLett.117.186101	journal	October 2016
Evidence for Electron–Hole Pair Excitation in the Associative Desorption of H ₂ and D ₂ from Au(111) Shuai, Quan; Kaufmann, Sven; Auerbach, Daniel J. The Journal of Physical Chemistry Letters, Vol. 8, Issue 7 https://doi.org/10.1021/acs.jpclett.7b00265	journal	March 2017
Quantum and classical dynamics of reactive scattering of H ₂ from metal surfaces Kroes, Geert-Jan; Díaz, Cristina Chemical Society Reviews, Vol. 45, Issue 13 https://doi.org/10.1039/C5CS00336A	journal	January 2016
On the Role of Electronic Friction for Dissociative Adsorption and Scattering of Hydrogen Molecules at a Ru(0001) Surface Füchsel, Gernot; Schimka, Selina; Saalfrank, Peter The Journal of Physical Chemistry A, Vol. 117, Issue 36 https://doi.org/10.1021/jp403860p	journal	June 2013
How adiabatic is activated adsorption/associative desorption? Luntz, A. C.; Persson, M. The Journal of Chemical Physics, Vol. 123, Issue 7 https://doi.org/10.1063/1.2000249	journal	August 2005
Surface electron density models for accurate ab initio molecular dynamics with electronic friction Novko, D.; Blanco-Rey, M.; Alducin, M. Physical Review B, Vol. 93, Issue 24 https://doi.org/10.1103/PhysRevB.93.245435	journal	June 2016
Chemically Induced Electronic Excitations at Metal Surfaces Gergen, B. Science, Vol. 294, Issue 5551 https://doi.org/10.1126/science.1066134	journal	December 2001
Continuous Hot Electron Generation in Pt/TiO ₂ , Pd/TiO ₂ , and Pt/GaN Catalytic Nanodiodes from Oxidation of Carbon Monoxide Ji, Xiao Z.; Somorjai, Gabor A. The Journal of Physical Chemistry B, Vol. 109, Issue 47 https://doi.org/10.1021/jp054163r	journal	December 2005
Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111) Diaz, C.; Pijper, E.; Olsen, R. A. Science, Vol. 326, Issue 5954 https://doi.org/10.1126/science.1178722	journal	November 2009
Electron–Hole Pair Effects in Polyatomic Dissociative Chemisorption: Water on Ni(111) Jiang, Bin; Alducin, Maite; Guo, Hua The Journal of Physical Chemistry Letters, Vol. 7, Issue 2 https://doi.org/10.1021/acs.jpclett.5b02737	journal	January 2016
Electronically Nonadiabatic Processes in the Interaction of H with a Au Surface Revealed Using MIM Junctions: The Temperature Dependence Schindler, Beate; Diesing, Detlef; Hasselbrink, Eckart The Journal of Physical Chemistry C, Vol. 117, Issue 12 https://doi.org/10.1021/jp4009459	journal	March 2013
Molecular dynamics with electronic frictions Head‐Gordon, Martin; Tully, John C. The Journal of Chemical Physics, Vol. 103, Issue 23 https://doi.org/10.1063/1.469915	journal	December 1995
Hot Electrons Do the Impossible: Plasmon-Induced Dissociation of H ₂ on Au Mukherjee, Shaunak; Libisch, Florian; Large, Nicolas Nano Letters, Vol. 13, Issue 1 https://doi.org/10.1021/nl303940z	journal	December 2012
The effect of hot electrons and surface plasmons on heterogeneous catalysis Kim, Sun Mi; Lee, Si Woo; Moon, Song Yi Journal of Physics: Condensed Matter, Vol. 28, Issue 25 https://doi.org/10.1088/0953-8984/28/25/254002	journal	May 2016
Electronic Friction Dominates Hydrogen Hot-Atom Relaxation on Pd(100) Blanco-Rey, M.; Juaristi, J. I.; Díez Muiño, R. Physical Review Letters, Vol. 112, Issue 10 https://doi.org/10.1103/PhysRevLett.112.103203	journal	March 2014
Nonlinear stopping power of an electron gas for slow ions Echenique, P. M.; Nieminen, R. M.; Ashley, J. C. Physical Review A, Vol. 33, Issue 2 https://doi.org/10.1103/PhysRevA.33.897	journal	February 1986
Electronic Damping of Atomic and Molecular Vibrations at Metal Surfaces Hellsing, B.; Persson, M. Physica Scripta, Vol. 29, Issue 4 https://doi.org/10.1088/0031-8949/29/4/014	journal	April 1984
Molecular-dynamics simulation of hydrogen diffusion in palladium Li, Yinggang; Wahnström, Göran Physical Review B, Vol. 46, Issue 22 https://doi.org/10.1103/PhysRevB.46.14528	journal	December 1992
Vibrational relaxation on metal surfaces: Molecular‐orbital theory and application to CO/Cu(100) Head‐Gordon, Martin; Tully, John C. The Journal of Chemical Physics, Vol. 96, Issue 5 https://doi.org/10.1063/1.461896	journal	March 1992
Electron–hole pairs during the adsorption dynamics of O ₂ on Pd(100): exciting or not? Meyer, Jörg; Reuter, Karsten New Journal of Physics, Vol. 13, Issue 8 https://doi.org/10.1088/1367-2630/13/8/085010	journal	August 2011
Vibrational lifetimes of cyanide and carbon monoxide on noble and transition metal surfaces Forsblom, Mattias; Persson, Mats The Journal of Chemical Physics, Vol. 127, Issue 15 https://doi.org/10.1063/1.2794744	journal	October 2007
Ab initio molecular simulations with numeric atom-centered orbitals Blum, Volker; Gehrke, Ralf; Hanke, Felix Computer Physics Communications, Vol. 180, Issue 11 https://doi.org/10.1016/j.cpc.2009.06.022	journal	November 2009
A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit Dou, Wenjie; Subotnik, Joseph E. The Journal of Chemical Physics, Vol. 144, Issue 2 https://doi.org/10.1063/1.4939734	journal	January 2016
Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption Bunermann, O.; Jiang, H.; Dorenkamp, Y. Science, Vol. 350, Issue 6266 https://doi.org/10.1126/science.aad4972	journal	November 2015
Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation Rittmeyer, Simon P.; Meyer, Jörg; Juaristi, J. Iñaki Physical Review Letters, Vol. 115, Issue 4 https://doi.org/10.1103/PhysRevLett.115.046102	journal	July 2015
Effects of electronic relaxation processes on vibrational linewidths of adsorbates on surfaces: The case of CO/Cu(100) Novko, D.; Alducin, M.; Blanco-Rey, M. Physical Review B, Vol. 94, Issue 22 https://doi.org/10.1103/PhysRevB.94.224306	journal	December 2016
Accurate sampling using Langevin dynamics Bussi, Giovanni; Parrinello, Michele Physical Review E, Vol. 75, Issue 5 https://doi.org/10.1103/PhysRevE.75.056707	journal	May 2007
Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born–Oppenheimer approximation for surface chemistry? Wodtke *, Alec M.; Tully, John C.; Auerbach, Daniel J. International Reviews in Physical Chemistry, Vol. 23, Issue 4 https://doi.org/10.1080/01442350500037521	journal	October 2004
Hot-Electron-Mediated Surface Chemistry: Toward Electronic Control of Catalytic Activity Park, Jeong Young; Kim, Sun Mi; Lee, Hyosun Accounts of Chemical Research, Vol. 48, Issue 8 https://doi.org/10.1021/acs.accounts.5b00170	journal	July 2015
Dynamics of H ₂ dissociation on the close-packed (111) surface of the noblest metal: H ₂ + Au(111) Wijzenbroek, Mark; Helstone, Darcey; Meyer, Jörg The Journal of Chemical Physics, Vol. 145, Issue 14 https://doi.org/10.1063/1.4964486	journal	October 2016
An object-oriented scripting interface to a legacy electronic structure code Bahn, S. R.; Jacobsen, K. W. Computing in Science & Engineering, Vol. 4, Issue 3 https://doi.org/10.1109/5992.998641	journal	January 2002
Non-adiabaticity in surface chemical reactions Hasselbrink, Eckart Surface Science, Vol. 603, Issue 10-12 https://doi.org/10.1016/j.susc.2008.12.037	journal	June 2009
Comment on “Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces” Luntz, A. C.; Makkonen, I.; Persson, M. Physical Review Letters, Vol. 102, Issue 10 https://doi.org/10.1103/PhysRevLett.102.109601	journal	March 2009
Energy Loss of Atoms at Metal Surfaces due to Electron-Hole Pair Excitations: First-Principles Theory of “Chemicurrents” Trail, J. R.; Graham, M. C.; Bird, D. M. Physical Review Letters, Vol. 88, Issue 16 https://doi.org/10.1103/PhysRevLett.88.166802	journal	April 2002

Similar Records

Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces:

H_{2}

on Ag(111)

Journal Article · Thu Jun 01 00:00:00 EDT 2017 · Physical Review Letters · OSTI ID:1366339

Maurer, Reinhard J.; Jiang, Bin; Guo, Hua; +1 more

Electron Localization in Dissociating

{H_{2}}^{+}

by Retroaction of a Photoelectron onto Its Source

Journal Article · Tue Jan 26 00:00:00 EST 2016 · Physical Review Letters · OSTI ID:1366339

Waitz, M.; Asliturk, D.; Wechselberger, N.; +19 more

Reentrant Phase Diagram of

{Yb}_{2} {Ti}_{2} O_{7}

in a

⟨ 111 ⟩

Magnetic Field

Journal Article · Thu Sep 21 00:00:00 EDT 2017 · Physical Review Letters · OSTI ID:1366339

Scheie, A.; Kindervater, J.; Säubert, S.; +9 more

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

Citation Formats

References (38)

Similar Records

Related Subjects

Title: Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: $H_{2}$ on Ag(111)