Spinel compounds as multivalent battery cathodes: A systematic evaluation based on ab initio calculations

Energy and Environmental Science

Volumn 8, Issue 3, 2015, Pages 964-974

  Liu, Miao ^a   Rong, Ziqin ^b   Malik, Rahul ^b   Canepa, Pieremanuele ^b   Jain, Anubhav ^a   Ceder, Gerbrand ^b   Persson, Kristin A ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b Massachusetts Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; CALCIUM; CALCULATIONS; CATHODE MATERIALS; LITHIUM-ION BATTERIES; MAGNESIUM COMPOUNDS; MANGANESE COMPOUNDS; POSITIVE IONS; REDOX REACTIONS; THERMODYNAMIC STABILITY; TRANSITION METALS; ZINC COMPOUNDS;

AB INITIO CALCULATIONS; ACTIVATION BARRIERS; ELECTRODE MATERIAL; FIRST-PRINCIPLES CALCULATION; HIGHER ENERGY DENSITY; INTERCALATION CATHODES; MULTIVALENT CATIONS; SYSTEMATIC EVALUATION;

CATHODES;

ELECTRODE; ELECTRON DENSITY; ION EXCHANGE; REDOX CONDITIONS; SPINEL; THERMODYNAMIC PROPERTY; TRANSITION ELEMENT;

EID: 84924370983     PISSN: 17545692     EISSN: 17545706     Source Type: Journal    
DOI: 10.1039/c4ee03389b     Document Type: Article

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