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Title: Theoretical Study of the Structural Evolution of a Na 2 FeMn(CN) 6 Cathode upon Na Intercalation

Authors:
 [1];  [1];  [1];  [1];  [1]
  1. Department of Chemistry and the Institute for Computational and Engineering Sciences and ‡Texas Material Institute and Materials Science and Engineering Program, University of Texas at Austin, Austin, Texas 78712, United States
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Understanding Charge Separation and Transfer at Interfaces in Energy Materials (CST)
Sponsoring Org.:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
OSTI Identifier:
1386051
DOE Contract Number:  
SC0001091
Resource Type:
Journal Article
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 27; Journal Issue: 10; Related Information: CST partners with University of Texas at Austin (lead); Sandia National Laboratories; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
solar (photovoltaic), phonons, energy storage (including batteries and capacitors), defects, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Citation Formats

Xiao, Penghao, Song, Jie, Wang, Long, Goodenough, John B., and Henkelman, Graeme. Theoretical Study of the Structural Evolution of a Na 2 FeMn(CN) 6 Cathode upon Na Intercalation. United States: N. p., 2015. Web. doi:10.1021/acs.chemmater.5b01132.
Xiao, Penghao, Song, Jie, Wang, Long, Goodenough, John B., & Henkelman, Graeme. Theoretical Study of the Structural Evolution of a Na 2 FeMn(CN) 6 Cathode upon Na Intercalation. United States. doi:10.1021/acs.chemmater.5b01132.
Xiao, Penghao, Song, Jie, Wang, Long, Goodenough, John B., and Henkelman, Graeme. Wed . "Theoretical Study of the Structural Evolution of a Na 2 FeMn(CN) 6 Cathode upon Na Intercalation". United States. doi:10.1021/acs.chemmater.5b01132.
@article{osti_1386051,
title = {Theoretical Study of the Structural Evolution of a Na 2 FeMn(CN) 6 Cathode upon Na Intercalation},
author = {Xiao, Penghao and Song, Jie and Wang, Long and Goodenough, John B. and Henkelman, Graeme},
abstractNote = {},
doi = {10.1021/acs.chemmater.5b01132},
journal = {Chemistry of Materials},
issn = {0897-4756},
number = 10,
volume = 27,
place = {United States},
year = {2015},
month = {5}
}