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Title: Challenges in the use of density functional theory to examine catalysis by M-doped ceria surfaces

Authors:
 [1];  [1]
  1. Department of Chemical Engineering, Pennsylvania State University, University Park, Pennsylvania 16802
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:
1382873
DOE Contract Number:  
SC0001058
Resource Type:
Journal Article
Journal Name:
International Journal of Quantum Chemistry
Additional Journal Information:
Journal Volume: 114; Journal Issue: 1; 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; Journal ID: ISSN 0020-7608
Publisher:
Wiley
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

Krcha, Matthew D., and Janik, Michael J. Challenges in the use of density functional theory to examine catalysis by M-doped ceria surfaces. United States: N. p., 2013. Web. doi:10.1002/qua.24548.
Krcha, Matthew D., & Janik, Michael J. Challenges in the use of density functional theory to examine catalysis by M-doped ceria surfaces. United States. doi:10.1002/qua.24548.
Krcha, Matthew D., and Janik, Michael J. Tue . "Challenges in the use of density functional theory to examine catalysis by M-doped ceria surfaces". United States. doi:10.1002/qua.24548.
@article{osti_1382873,
title = {Challenges in the use of density functional theory to examine catalysis by M-doped ceria surfaces},
author = {Krcha, Matthew D. and Janik, Michael J.},
abstractNote = {},
doi = {10.1002/qua.24548},
journal = {International Journal of Quantum Chemistry},
issn = {0020-7608},
number = 1,
volume = 114,
place = {United States},
year = {2013},
month = {10}
}

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