Crystal structure predictions of NaxC6O6 for sodium-ion batteries: First-principles calculations with an evolutionary algorithm

Electrochimica Acta

Volumn 195, Issue , 2016, Pages 1-8

  Yamashita, Tomoki ^a   Momida, Hiroyoshi ^a,b   Oguchi, Tamio ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b OSAKA UNIVERSITY   (Japan)

Author keywords

First principles calculation; Sodium rhodizonate; Sodium ion battery; Structural stability

Indexed keywords

ALGORITHMS; CALCULATIONS; CRYSTAL STRUCTURE; ELECTRIC BATTERIES; ELECTRONIC STRUCTURE; EVOLUTIONARY ALGORITHMS; FORECASTING; IONS; METAL IONS; STABILITY;

BONDING AND ANTIBONDING STATE; CHARGE/DISCHARGE; CRYSTAL STRUCTURE PREDICTION; FIRST-PRINCIPLES CALCULATION; REACTION MECHANISM; SODIUM ION BATTERIES; STRUCTURAL STABILITIES;

SECONDARY BATTERIES;

EID: 84959352717     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2016.02.056     Document Type: Article

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