Energetics of MnO2 polymorphs in density functional theory
نویسندگان
چکیده
Daniil A. Kitchaev,1 Haowei Peng,2 Yun Liu,1 Jianwei Sun,2 John P. Perdew,2,3 and Gerbrand Ceder1,4,5,* 1Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA 2Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA 3Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, USA 4Department of Materials Science and Engineering, University of California Berkeley, Berkeley, California 94720, USA 5Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA (Received 28 November 2015; published 26 January 2016)
منابع مشابه
Energetics of MnO[subscript 2] polymorphs in density functional theory
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