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Title: Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces

Abstract

Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Univ. of Texas, Austin, TX (United States). Dept. of Chemistry and the Institute for Computational Engineering and Sciences
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of Texas, Austin, TX (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1543889
Alternate Identifier(s):
OSTI ID: 1617173
Grant/Contract Number:  
SC0010576
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 149; Journal Issue: 17; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Chemistry; Physics

Citation Formats

Li, Hao, Shin, Kihyun, and Henkelman, Graeme. Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces. United States: N. p., 2018. Web. doi:10.1063/1.5053894.
Li, Hao, Shin, Kihyun, & Henkelman, Graeme. Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces. United States. doi:https://doi.org/10.1063/1.5053894
Li, Hao, Shin, Kihyun, and Henkelman, Graeme. Fri . "Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces". United States. doi:https://doi.org/10.1063/1.5053894. https://www.osti.gov/servlets/purl/1543889.
@article{osti_1543889,
title = {Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces},
author = {Li, Hao and Shin, Kihyun and Henkelman, Graeme},
abstractNote = {Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces},
doi = {10.1063/1.5053894},
journal = {Journal of Chemical Physics},
number = 17,
volume = 149,
place = {United States},
year = {2018},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 75 works
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