Electronic structure and ionic diffusion of green battery cathode material: Mg2Mo6S8

Solid State Ionics

Volumn 261, Issue , 2014, Pages 17-20

  Kaewmaraya, T ^a   Ramzan, M ^a   Osorio Guillen J M ^b   Ahuja, R ^a,c  

^a UPPSALA UNIVERSITY   (Sweden)

^b UNIVERSIDAD DE ANTIOQUIA   (Colombia)

^c ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

First principle calculations; Hybrid functionals; Mg ion batteries; Molecular dynamics

Indexed keywords

CATHODES; DISPERSIONS; ELECTRONIC STRUCTURE; STABILITY;

AB-INITIO MOLECULAR DYNAMICS; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL VALUES; FIRST PRINCIPLE CALCULATIONS; HYBRID FUNCTIONALS; INTERCALATION VOLTAGES; PHONON DISPERSION RELATIONS; RECHARGEABLE MAGNESIUM BATTERY;

MOLECULAR DYNAMICS;

EID: 84899025061     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2014.03.023     Document Type: Article

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