Dissociation and recombination of D2 on Cu(111): Ab initio molecular dynamics calculations and improved analysis of desorption experiments-Reference-Cited by-同舟云学术

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Dissociation and recombination of D2 on Cu(111): Ab initio molecular dynamics calculations and improved analysis of desorption experiments

Published:2014-09-28 Issue:12 Volume:141 Page:124705
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Nattino Francesco¹,Genova Alessandro¹,Guijt Marieke¹,Muzas Alberto S.²,Díaz Cristina²,Auerbach Daniel J.¹³,Kroes Geert-Jan¹

Affiliation:

1. Leiden Institute of Chemistry, Leiden University, Gorlaeus Laboratories, P.O. Box 9502, 2300 RA Leiden, The Netherlands

2. Departamento de Química Módulo 13, Universitad Autónoma de Madrid, 28049 Madrid, Spain

3. Max Planck Institute for Biophysical Chemistry, Göttingen, Germany

Funder

CW-NWO

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4896058

Reference95 articles.

1. Towards chemically accurate simulation of molecule–surface reactions

2. Reactive and Nonreactive Scattering of H 2 from a Metal Surface Is Electronically Adiabatic

3. How adiabatic is activated adsorption/associative desorption?

4. Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces

5. Adsorption and desorption kinetics in the systems H2/Cu(111), H2/Cu(110) and H2/Cu(100)

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1. Angle-resolved Analysis Essential for Structure-sensitive Desorption Dynamics;e-Journal of Surface Science and Nanotechnology;2024-07-06

2. On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H2 from Cu(111) at 925 K;The Journal of Chemical Physics;2024-07-02

3. Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities;The Journal of Physical Chemistry C;2023-12-04

4. The quantum dynamics of H₂ on Cu(111) at a surface temperature of 925 K: Comparing state-of-the-art theory to state-of-the-art experiments 2;The Journal of Chemical Physics;2023-01-07

5. Desorption Dynamics vs. The Detailed Balance Principle;2023

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