Density functional theory method for study of the mechanism of C-H bond formation on finite-sized graphene surface

Japanese Journal of Applied Physics

Volumn 49, Issue 6 PART 2, 2010, Pages

  Tachikawa, Hiroto ^a   Iyama, Tetsuji ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ACTIVATION BARRIERS; BENZENE RING; C-H BOND; DENSITY FUNCTIONAL THEORY METHODS; EQUILIBRIUM STRUCTURES; FINITE SIZE; GRAPHENES; HARMONIC VIBRATIONAL FREQUENCIES; HYDROGEN ATOMS; LINEAR RELATIONSHIPS; STRETCHING MODES; THEORETICAL RESULT; TRANSITION REGIONS;

BENZENE; BOND LENGTH; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; GRAPHITE; HYDROGENATION;

GRAPHENE;

EID: 77955313933     PISSN: 00214922     EISSN: 13474065     Source Type: Journal    
DOI: 10.1143/JJAP.49.06GJ12     Document Type: Article

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