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Title: Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality

Authors:
; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1470019
DOE Contract Number:  
SC0012575
Resource Type:
Journal Article
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Volume: 114; Journal Issue: 44; Related Information: CCDM partners with Temple University (lead); Brookhaven National Laboratory; Drexel University; Duke University; North Carolina State University; Northeastern University; Princeton University; Rice University; University of Pennsylvania; Journal ID: ISSN 0027-8424
Publisher:
National Academy of Sciences, Washington, DC (United States)
Country of Publication:
United States
Language:
English
Subject:
catalysis (heterogeneous), solar (photovoltaic), energy storage (including batteries and capacitors), hydrogen and fuel cells, defects, mechanical behavior, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Patra, Abhirup, Bates, Jefferson E., Sun, Jianwei, and Perdew, John P.. Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality. United States: N. p., 2017. Web. doi:10.1073/pnas.1713320114.
Patra, Abhirup, Bates, Jefferson E., Sun, Jianwei, & Perdew, John P.. Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality. United States. doi:10.1073/pnas.1713320114.
Patra, Abhirup, Bates, Jefferson E., Sun, Jianwei, and Perdew, John P.. Tue . "Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality". United States. doi:10.1073/pnas.1713320114.
@article{osti_1470019,
title = {Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality},
author = {Patra, Abhirup and Bates, Jefferson E. and Sun, Jianwei and Perdew, John P.},
abstractNote = {},
doi = {10.1073/pnas.1713320114},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
issn = {0027-8424},
number = 44,
volume = 114,
place = {United States},
year = {2017},
month = {10}
}