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Title: First-Principles Studies of Adsorption of CO on the Na(100) Surface

Abstract

We have investigated the interaction of CO with the Na(100) substrate in the framework of density functional theory formulated for periodic systems. We established that there is an attractive but weak chemisorption bond between CO and Na(100).

Authors:
; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
15005517
Report Number(s):
PNNL-SA-31494
Journal ID: ISSN 0039-6028; SUSCAS; KC0302010; TRN: US200412%%52
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Surface Science, 453(1-3):130-136
Additional Journal Information:
Journal Volume: 453; Journal Issue: 1-3; Journal ID: ISSN 0039-6028
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CARBON MONOXIDE; CHEMISORPTION; DENSITY FUNCTIONAL METHOD; SODIUM; SORPTIVE PROPERTIES; SUBSTRATES

Citation Formats

Alfonso, Dominic, Snyder, James A., Jaffe, John E., Hess, Anthony C., and Gutowski, Maciej S. First-Principles Studies of Adsorption of CO on the Na(100) Surface. United States: N. p., 2000. Web. doi:10.1016/S0039-6028(00)00331-9.
Alfonso, Dominic, Snyder, James A., Jaffe, John E., Hess, Anthony C., & Gutowski, Maciej S. First-Principles Studies of Adsorption of CO on the Na(100) Surface. United States. doi:10.1016/S0039-6028(00)00331-9.
Alfonso, Dominic, Snyder, James A., Jaffe, John E., Hess, Anthony C., and Gutowski, Maciej S. Wed . "First-Principles Studies of Adsorption of CO on the Na(100) Surface". United States. doi:10.1016/S0039-6028(00)00331-9.
@article{osti_15005517,
title = {First-Principles Studies of Adsorption of CO on the Na(100) Surface},
author = {Alfonso, Dominic and Snyder, James A. and Jaffe, John E. and Hess, Anthony C. and Gutowski, Maciej S.},
abstractNote = {We have investigated the interaction of CO with the Na(100) substrate in the framework of density functional theory formulated for periodic systems. We established that there is an attractive but weak chemisorption bond between CO and Na(100).},
doi = {10.1016/S0039-6028(00)00331-9},
journal = {Surface Science, 453(1-3):130-136},
issn = {0039-6028},
number = 1-3,
volume = 453,
place = {United States},
year = {2000},
month = {5}
}