First-principles investigations on vacancy formation and electronic structures of monolayer MoS2

Materials Chemistry and Physics

Volumn 148, Issue 1-2, 2014, Pages 5-9

  Feng, Li Ping ^a   Su, Jie ^a   Chen, Shuai ^a   Liu, Zheng Tang ^a  

^a NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

Ab initio calculations; Defects; Electronic materials; Electronic structure; Monolayers

Indexed keywords

CALCULATIONS; DEFECTS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; FERMI LEVEL; LAYERED SEMICONDUCTORS; MOLYBDENUM; MOLYBDENUM COMPOUNDS; MONOLAYERS; VANADIUM COMPOUNDS;

AB INITIO CALCULATIONS; ELECTRONIC MATERIALS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES INVESTIGATIONS; INTRINSIC VACANCIES; OXIDIZING CONDITIONS; P TYPE CONDUCTIVITY; REDUCING CONDITIONS;

SULFUR COMPOUNDS;

EID: 84908220336     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2014.07.026     Document Type: Article

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