DFT, AIM, and NBO study of the interaction of simple and sulfur-doped graphenes with molecular halogens, CH3OH, CH3SH, H2O, and H2S

Structural Chemistry

Volumn 25, Issue 6, 2014, Pages 1659-1667

  Tavakol, Hossein ^a   Mollaei Renani, Akram ^a  

^a ISFAHAN UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Adsorption; DFT; Doping; Graphene; Sensor

Indexed keywords

EID: 84925345618     PISSN: 10400400     EISSN: 15729001     Source Type: Journal    
DOI: 10.1007/s11224-014-0446-y     Document Type: Article

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