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)

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

Publication Date:: Fri Jun 23 00:00:00 EDT 2017

Sponsoring Org.:: USDOE

OSTI Identifier:: 1366339

Grant/Contract Number:: FG02-05ER15677

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 118 Journal Issue: 25; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Maurer, Reinhard J., Jiang, Bin, Guo, Hua, and Tully, John C. Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H 2 on Ag(111).  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevLett.118.256001.

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                    Maurer, Reinhard J., Jiang, Bin, Guo, Hua, & Tully, John C. Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H 2 on Ag(111).  United States.  https://doi.org/10.1103/PhysRevLett.118.256001

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                    Maurer, Reinhard J., Jiang, Bin, Guo, Hua, and Tully, John C. Fri .  
"Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H 2 on Ag(111)".  United States.  https://doi.org/10.1103/PhysRevLett.118.256001.

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@article{osti_1366339,

  title        = {Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H 2 on Ag(111)},

  author       = {Maurer, Reinhard J. and Jiang, Bin and Guo, Hua and Tully, John C.},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.118.256001},

  journal      = {Physical Review Letters},

  number       = 25,

  volume       = 118,

  place        = {United States},

  year         = {Fri Jun 23 00:00:00 EDT 2017},

  month        = {Fri Jun 23 00:00:00 EDT 2017}

}

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Works referenced in this record:

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

Jiang, Bin; Guo, Hua
Phys. Chem. Chem. Phys., Vol. 16, Issue 45
DOI: 10.1039/C4CP03761H

Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface
journal, November 2009

Shenvi, N.; Roy, S.; Tully, J. C.
Science, Vol. 326, Issue 5954
DOI: 10.1126/science.1179240

Generalized Gradient Approximation Made Simple
journal, October 1996

Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
DOI: 10.1103/PhysRevLett.77.3865

Mixed Quantum-Classical Dynamics Using Collective Electronic Variables: A Better Alternative to Electronic Friction Theories
journal, January 2017

Ryabinkin, Ilya G.; Izmaylov, Artur F.
The Journal of Physical Chemistry Letters, Vol. 8, Issue 2
DOI: 10.1021/acs.jpclett.6b02712

Disentangling Multidimensional Nonequilibrium Dynamics of Adsorbates: CO Desorption from Cu(100)
journal, October 2016

Inoue, Ken-ichi; Watanabe, Kazuya; Sugimoto, Toshiki
Physical Review Letters, Vol. 117, Issue 18
DOI: 10.1103/PhysRevLett.117.186101

Evidence for Electron–Hole Pair Excitation in the Associative Desorption of H ₂ and D ₂ from Au(111)
journal, March 2017

Shuai, Quan; Kaufmann, Sven; Auerbach, Daniel J.
The Journal of Physical Chemistry Letters, Vol. 8, Issue 7
DOI: 10.1021/acs.jpclett.7b00265

Quantum and classical dynamics of reactive scattering of H ₂ from metal surfaces
journal, January 2016

Kroes, Geert-Jan; Díaz, Cristina
Chemical Society Reviews, Vol. 45, Issue 13
DOI: 10.1039/C5CS00336A

On the Role of Electronic Friction for Dissociative Adsorption and Scattering of Hydrogen Molecules at a Ru(0001) Surface
journal, June 2013

Füchsel, Gernot; Schimka, Selina; Saalfrank, Peter
The Journal of Physical Chemistry A, Vol. 117, Issue 36
DOI: 10.1021/jp403860p

How adiabatic is activated adsorption/associative desorption?
journal, August 2005

Luntz, A. C.; Persson, M.
The Journal of Chemical Physics, Vol. 123, Issue 7
DOI: 10.1063/1.2000249

Surface electron density models for accurate ab initio molecular dynamics with electronic friction
journal, June 2016

Novko, D.; Blanco-Rey, M.; Alducin, M.
Physical Review B, Vol. 93, Issue 24
DOI: 10.1103/PhysRevB.93.245435

Chemically Induced Electronic Excitations at Metal Surfaces
journal, December 2001

Gergen, B.
Science, Vol. 294, Issue 5551
DOI: 10.1126/science.1066134

Continuous Hot Electron Generation in Pt/TiO ₂ , Pd/TiO ₂ , and Pt/GaN Catalytic Nanodiodes from Oxidation of Carbon Monoxide
journal, December 2005

Ji, Xiao Z.; Somorjai, Gabor A.
The Journal of Physical Chemistry B, Vol. 109, Issue 47
DOI: 10.1021/jp054163r

Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111)
journal, November 2009

Diaz, C.; Pijper, E.; Olsen, R. A.
Science, Vol. 326, Issue 5954
DOI: 10.1126/science.1178722

Electron–Hole Pair Effects in Polyatomic Dissociative Chemisorption: Water on Ni(111)
journal, January 2016

Jiang, Bin; Alducin, Maite; Guo, Hua
The Journal of Physical Chemistry Letters, Vol. 7, Issue 2
DOI: 10.1021/acs.jpclett.5b02737

Electronically Nonadiabatic Processes in the Interaction of H with a Au Surface Revealed Using MIM Junctions: The Temperature Dependence
journal, March 2013

Schindler, Beate; Diesing, Detlef; Hasselbrink, Eckart
The Journal of Physical Chemistry C, Vol. 117, Issue 12
DOI: 10.1021/jp4009459

Molecular dynamics with electronic frictions
journal, December 1995

Head‐Gordon, Martin; Tully, John C.
The Journal of Chemical Physics, Vol. 103, Issue 23
DOI: 10.1063/1.469915

Hot Electrons Do the Impossible: Plasmon-Induced Dissociation of H ₂ on Au
journal, December 2012

Mukherjee, Shaunak; Libisch, Florian; Large, Nicolas
Nano Letters, Vol. 13, Issue 1
DOI: 10.1021/nl303940z

The effect of hot electrons and surface plasmons on heterogeneous catalysis
journal, May 2016

Kim, Sun Mi; Lee, Si Woo; Moon, Song Yi
Journal of Physics: Condensed Matter, Vol. 28, Issue 25
DOI: 10.1088/0953-8984/28/25/254002

Electronic Friction Dominates Hydrogen Hot-Atom Relaxation on Pd(100)
journal, March 2014

Blanco-Rey, M.; Juaristi, J. I.; Díez Muiño, R.
Physical Review Letters, Vol. 112, Issue 10
DOI: 10.1103/PhysRevLett.112.103203

Nonlinear stopping power of an electron gas for slow ions
journal, February 1986

Echenique, P. M.; Nieminen, R. M.; Ashley, J. C.
Physical Review A, Vol. 33, Issue 2
DOI: 10.1103/PhysRevA.33.897

Electronic Damping of Atomic and Molecular Vibrations at Metal Surfaces
journal, April 1984

Hellsing, B.; Persson, M.
Physica Scripta, Vol. 29, Issue 4
DOI: 10.1088/0031-8949/29/4/014

Molecular-dynamics simulation of hydrogen diffusion in palladium
journal, December 1992

Li, Yinggang; Wahnström, Göran
Physical Review B, Vol. 46, Issue 22
DOI: 10.1103/PhysRevB.46.14528

Vibrational relaxation on metal surfaces: Molecular‐orbital theory and application to CO/Cu(100)
journal, March 1992

Head‐Gordon, Martin; Tully, John C.
The Journal of Chemical Physics, Vol. 96, Issue 5
DOI: 10.1063/1.461896

Electron–hole pairs during the adsorption dynamics of O ₂ on Pd(100): exciting or not?
journal, August 2011

Meyer, Jörg; Reuter, Karsten
New Journal of Physics, Vol. 13, Issue 8
DOI: 10.1088/1367-2630/13/8/085010

Vibrational lifetimes of cyanide and carbon monoxide on noble and transition metal surfaces
journal, October 2007

Forsblom, Mattias; Persson, Mats
The Journal of Chemical Physics, Vol. 127, Issue 15
DOI: 10.1063/1.2794744

Ab initio molecular simulations with numeric atom-centered orbitals
journal, November 2009

Blum, Volker; Gehrke, Ralf; Hanke, Felix
Computer Physics Communications, Vol. 180, Issue 11
DOI: 10.1016/j.cpc.2009.06.022

A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit
journal, January 2016

Dou, Wenjie; Subotnik, Joseph E.
The Journal of Chemical Physics, Vol. 144, Issue 2
DOI: 10.1063/1.4939734

Electron-hole pair excitation determines the mechanism of hydrogen atom adsorption
journal, November 2015

Bunermann, O.; Jiang, H.; Dorenkamp, Y.
Science, Vol. 350, Issue 6266
DOI: 10.1126/science.aad4972

Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation
journal, July 2015

Rittmeyer, Simon P.; Meyer, Jörg; Juaristi, J. Iñaki
Physical Review Letters, Vol. 115, Issue 4
DOI: 10.1103/PhysRevLett.115.046102

Effects of electronic relaxation processes on vibrational linewidths of adsorbates on surfaces: The case of CO/Cu(100)
journal, December 2016

Novko, D.; Alducin, M.; Blanco-Rey, M.
Physical Review B, Vol. 94, Issue 22
DOI: 10.1103/PhysRevB.94.224306

Accurate sampling using Langevin dynamics
journal, May 2007

Bussi, Giovanni; Parrinello, Michele
Physical Review E, Vol. 75, Issue 5
DOI: 10.1103/PhysRevE.75.056707

Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born–Oppenheimer approximation for surface chemistry?
journal, October 2004

Wodtke *, Alec M.; Tully, John C.; Auerbach, Daniel J.
International Reviews in Physical Chemistry, Vol. 23, Issue 4
DOI: 10.1080/01442350500037521

Hot-Electron-Mediated Surface Chemistry: Toward Electronic Control of Catalytic Activity
journal, July 2015

Park, Jeong Young; Kim, Sun Mi; Lee, Hyosun
Accounts of Chemical Research, Vol. 48, Issue 8
DOI: 10.1021/acs.accounts.5b00170

Dynamics of H ₂ dissociation on the close-packed (111) surface of the noblest metal: H ₂ + Au(111)
journal, October 2016

Wijzenbroek, Mark; Helstone, Darcey; Meyer, Jörg
The Journal of Chemical Physics, Vol. 145, Issue 14
DOI: 10.1063/1.4964486

An object-oriented scripting interface to a legacy electronic structure code
journal, January 2002

Bahn, S. R.; Jacobsen, K. W.
Computing in Science & Engineering, Vol. 4, Issue 3
DOI: 10.1109/5992.998641

Non-adiabaticity in surface chemical reactions
journal, June 2009

Hasselbrink, Eckart
Surface Science, Vol. 603, Issue 10-12
DOI: 10.1016/j.susc.2008.12.037

Comment on “Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces”
journal, March 2009

Luntz, A. C.; Makkonen, I.; Persson, M.
Physical Review Letters, Vol. 102, Issue 10
DOI: 10.1103/PhysRevLett.102.109601

Energy Loss of Atoms at Metal Surfaces due to Electron-Hole Pair Excitations: First-Principles Theory of “Chemicurrents”
journal, April 2002

Trail, J. R.; Graham, M. C.; Bird, D. M.
Physical Review Letters, Vol. 88, Issue 16
DOI: 10.1103/PhysRevLett.88.166802

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Similar Records

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

Citation Formats

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

Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface journal, November 2009

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Mixed Quantum-Classical Dynamics Using Collective Electronic Variables: A Better Alternative to Electronic Friction Theories journal, January 2017

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Evidence for Electron–Hole Pair Excitation in the Associative Desorption of H 2 and D 2 from Au(111) journal, March 2017

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On the Role of Electronic Friction for Dissociative Adsorption and Scattering of Hydrogen Molecules at a Ru(0001) Surface journal, June 2013

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Continuous Hot Electron Generation in Pt/TiO 2 , Pd/TiO 2 , and Pt/GaN Catalytic Nanodiodes from Oxidation of Carbon Monoxide journal, December 2005

Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111) journal, November 2009

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Vibrational lifetimes of cyanide and carbon monoxide on noble and transition metal surfaces journal, October 2007

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

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