The intercalation phase diagram of Mg in V2O5 from first-principles

Chemistry of Materials

Volumn 27, Issue 10, 2015, Pages 3733-3742

  Sai Gautam, Gopalakrishnan ^a   Canepa, Pieremanuele ^a   Abdellahi, Aziz ^a   Urban, Alexander ^a   Malik, Rahul ^a   Ceder, Gerbrand ^a  

^a Massachusetts Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; GROUND STATE; MAGNESIA; METASTABLE PHASES; PHASE DIAGRAMS; VANADIUM PENTOXIDE;

CLUSTER EXPANSION; DELTA-PHASE; EQUILIBRIUM PHASE; FIRST PRINCIPLES; METASTABLE SOLID SOLUTION; TEMPERATURE COMPOSITION; TRANSFORMATION PATHS;

MAGNESIUM;

EID: 84930227145     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/acs.chemmater.5b00957     Document Type: Article

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