Understanding dopant and defect effect on H2S sensing performances of graphene: A first-principles study

Computational Materials Science

Volumn 69, Issue , 2013, Pages 222-228

  Li, Feng ^a   Zhang, Yong Hui ^a   Han, Li Feng ^a   Xiao, Yuan Hua ^a   Jia, Dian Zeng ^b   Guo, Zhan Hu ^c  

^a ZHENGZHOU UNIVERSITY OF LIGHT INDUSTRY   (China)

^b XINJIANG UNIVERSITY   (China)

^c Lamar University   (United States)

Author keywords

Electron transport; Graphene; H2S; Sensor

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON TRANSPORT; ELECTRONIC AND MAGNETIC PROPERTIES; ELECTRONIC TRANSPORT; FE-DOPED; FIRST-PRINCIPLES STUDY; H2S; N-DOPED; NON-EQUILIBRIUM GREEN'S FUNCTION FORMALISM; SENSING MATERIAL; SENSING PERFORMANCE; SI-S BONDS; STRONG INTERACTION;

CALCULATIONS; CHEMICAL SENSORS; DEFECTS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; HYDROGEN; MAGNETIC PROPERTIES; MOLECULES; NANOSHEETS; PHYSISORPTION; SENSORS; SILICON; TRANSITION METALS;

GRAPHENE;

EID: 84872315443     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.11.048     Document Type: Article

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