Selecting substituent elements for Li-rich Mn-based cathode materials by Density Functional Theory (DFT) calculations

Chemistry of Materials

Volumn 27, Issue 9, 2015, Pages 3456-3461

  Gao, Yurui ^a   Wang, Xuefeng ^a   Ma, Jun ^b   Wang, Zhaoxiang ^a   Chen, Liquan ^a  

^a INSTITUTE OF PHYSICS   (China)

^b QINGDAO INSTITUTE OF BIOENERGY AND BIOPROCESS TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CATHODES; DOPING (ADDITIVES); ELECTRIC DISCHARGES; ELECTRODES; LITHIUM; MANGANESE; MANGANESE OXIDE; NICKEL; NIOBIUM; OXYGEN; PROBABILITY DENSITY FUNCTION; TRANSITION METALS;

ATOMIC SUBSTITUTIONS; CHARGE COMPENSATION; DENSITY FUNCTION THEORY CALCULATIONS; ELECTROCHEMICAL ACTIVITIES; ELECTROCHEMICAL EVALUATIONS; ELECTRONIC CONDUCTIVITY; SERIES OF TRANSITION; STRUCTURAL TRANSITIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84929179526     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/acs.chemmater.5b00875     Document Type: Article

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