High-throughput ab initio screening of binary solid solutions in olivine phosphates for Li-ion battery cathodes

Modelling and Simulation in Materials Science and Engineering

Volumn 21, Issue 7, 2013, Pages

  Hajiyani, H R ^a   Preiss, U ^a   Drautz, R ^a   Hammerschmidt, T ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY COMBINATIONS; BINARY SOLID SOLUTIONS; CATH-ODE MATERIALS; DFT CALCULATION; FORMATION ENERGIES; INTERCALATION VOLTAGES; LI-ION BATTERIES; OLIVINE PHOSPHATES;

BINARY MIXTURES; CALCULATIONS; CATHODES; COBALT COMPOUNDS; DENSITY FUNCTIONAL THEORY; LITHIUM; LITHIUM BATTERIES; NICKEL; OLIVINE; PHOSPHATES; THERMODYNAMIC STABILITY;

IRON COMPOUNDS;

EID: 84887083469     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/21/7/074004     Document Type: Article

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