Molecular adsorption study of nicotine and caffeine on single-walled carbon nanotubes from first principles

Chemical Physics Letters

Volumn 580, Issue , 2013, Pages 57-61

  Lee, Hyung June ^a   Kim, Gunn ^b   Kwon, Young Kyun ^a  

^a Kyung Hee University   (South Korea)

^b Sejong University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING CHARACTERISTICS; BINDING PROPERTIES; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; MOLECULAR ADSORPTION; QUANTUM CONDUCTANCE;

BINDING ENERGY; CAFFEINE; CALCULATIONS; ELECTRONIC STRUCTURE; MOLECULES; SINGLE-WALLED CARBON NANOTUBES (SWCN);

NICOTINE;

EID: 84880923650     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.06.033     Document Type: Article

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