Improvement in hole-transport property of fullerene materials by hydrogenation: A density functional theory study on fullerene hydride C 60H4

Japanese Journal of Applied Physics

Volumn 47, Issue 5 PART 1, 2008, Pages 3638-3642

  Tokunaga, Ken ^a   Kawabata, Hiroshi ^b   Matsushige, Kazumi ^b  

^a KYUSHU UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

Density functional theory; Fullerene; Fullerene hydride; Hole transfer; Hydrofullerene; Marcus theory; Reorganization energy; Vibronic coupling

Indexed keywords

FULLERENES; HYDROGENATION; ISOMERS; MOLECULAR ORBITALS; NANOSTRUCTURES; RATE CONSTANTS; TRANSPORT PROPERTIES;

FULLERENE HYDRIDE; HOLE TRANSFER; HYDROFULLERENE; MARCUS THEORY; REORGANIZATION ENERGY; VIBRONIC COUPLING;

DENSITY FUNCTIONAL THEORY;

EID: 55049116182     PISSN: 00214922     EISSN: 13474065     Source Type: Journal    
DOI: 10.1143/JJAP.47.3638     Document Type: Article

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