Hydrogenated K4 carbon: A new stable cubic gauche structure of carbon hydride

Journal of Chemical Physics

Volumn 138, Issue 2, 2013, Pages

  Lian, Chao Sheng ^a   Wang, Xin Quan ^a   Wang, Jian Tao ^a  

^a INSTITUTE OF PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DOPING EFFECTS; ELECTRONIC BAND STRUCTURE; ENERGETIC STABILITY; FIRST-PRINCIPLES CALCULATION; GAUCHE STRUCTURES; HYBRID DENSITY FUNCTIONAL METHOD; INDIRECT BAND GAP; N-DOPED; PHONON DISPERSION CURVES; TOTAL ENERGY;

CALCULATIONS; ELECTRONIC PROPERTIES; ENERGY GAP; HYDRIDES; HYDROGENATION;

CARBON;

EID: 84872724292     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4773584     Document Type: Article

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