skip to main content

DOE PAGESDOE PAGES

Title: Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111)

Authors:
 [1] ;  [2]
  1. Department of Chemical Engineering, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061, USA
  2. Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA
Publication Date:
Grant/Contract Number:
FG-02-05ER15686
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 144 Journal Issue: 23; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1258496

Xin, Hongliang, and Linic, Suljo. Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111). United States: N. p., Web. doi:10.1063/1.4953906.
Xin, Hongliang, & Linic, Suljo. Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111). United States. doi:10.1063/1.4953906.
Xin, Hongliang, and Linic, Suljo. 2016. "Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111)". United States. doi:10.1063/1.4953906.
@article{osti_1258496,
title = {Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111)},
author = {Xin, Hongliang and Linic, Suljo},
abstractNote = {},
doi = {10.1063/1.4953906},
journal = {The Journal of Chemical Physics},
number = 23,
volume = 144,
place = {United States},
year = {2016},
month = {6}
}

Works referenced in this record:

Special points for Brillouin-zone integrations
journal, June 1976
  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
  • Henkelman, Graeme; Uberuaga, Blas P.; J√≥nsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965