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Title: Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(10 0) using charge optimized many body potentials

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Atomic-Level Catalyst Design (CALCD)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1384256
DOE Contract Number:  
SC0001058
Resource Type:
Journal Article
Resource Relation:
Journal Name: Catalysis Communications; Journal Volume: 52; Journal Issue: C; Related Information: CALCD partners with Louisiana State University (lead); Clemson University; University of Florida; Georgia Institute of Technology; Grambling State University; Oak Ridge National Laboratory; Ohio State University; Pennsylvania State; Texas A&M University; Vienna University of Technology, Austria; University of Utrecht, Netherlands
Country of Publication:
United States
Language:
English
Subject:
catalysis (heterogeneous), hydrogen and fuel cells, charge transport, carbon capture, carbon sequestration, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Liang, Tao, Cheng, Yu-Ting, Nie, Xiaowa, Luo, Wenjia, Asthagiri, Aravind, Janik, Michael J., Andrews, Evan, Flake, John, and Sinnott, Susan B. Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(10 0) using charge optimized many body potentials. United States: N. p., 2014. Web. doi:10.1016/j.catcom.2013.11.033.
Liang, Tao, Cheng, Yu-Ting, Nie, Xiaowa, Luo, Wenjia, Asthagiri, Aravind, Janik, Michael J., Andrews, Evan, Flake, John, & Sinnott, Susan B. Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(10 0) using charge optimized many body potentials. United States. doi:10.1016/j.catcom.2013.11.033.
Liang, Tao, Cheng, Yu-Ting, Nie, Xiaowa, Luo, Wenjia, Asthagiri, Aravind, Janik, Michael J., Andrews, Evan, Flake, John, and Sinnott, Susan B. Tue . "Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(10 0) using charge optimized many body potentials". United States. doi:10.1016/j.catcom.2013.11.033.
@article{osti_1384256,
title = {Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(10 0) using charge optimized many body potentials},
author = {Liang, Tao and Cheng, Yu-Ting and Nie, Xiaowa and Luo, Wenjia and Asthagiri, Aravind and Janik, Michael J. and Andrews, Evan and Flake, John and Sinnott, Susan B.},
abstractNote = {},
doi = {10.1016/j.catcom.2013.11.033},
journal = {Catalysis Communications},
number = C,
volume = 52,
place = {United States},
year = {Tue Jul 01 00:00:00 EDT 2014},
month = {Tue Jul 01 00:00:00 EDT 2014}
}