Simulations for the formation dynamics and electronic states of carbon nano materials: Diffusion and alignment of oxygen atoms on graphene

Current Applied Physics

Volumn 11, Issue 4 SUPPL., 2011, Pages

  Kawai, Takazumi ^a,b   Miyamoto, Yoshiyuki ^a,c  

^a NEC CORPORATION   (Japan)

^b UNIVERSITY OF TSUKUBA   (Japan)

^c NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Edge formation; Epoxy oxygen; Graphene; Surface diffusion

Indexed keywords

AB INITIO CALCULATIONS; C-C BONDS; CURVATURE EFFECT; EDGE FORMATION; EPOXY OXYGEN; EPOXY STRUCTURES; FORMATION DYNAMICS; GRAPHENE SHEETS; INTERNAL STRAINS; LOCAL CURVATURE; NUDGED ELASTIC BAND METHODS; OXYGEN ATOM; STABLE ADSORPTION; TOTAL ENERGY;

ADSORPTION; ALIGNMENT; ATOMS; CALCULATIONS; CARBON NANOTUBES; DIFFUSION BARRIERS; ELECTRONIC STATES; GRAPHENE;

OXYGEN;

EID: 80455164669     PISSN: 15671739     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cap.2011.07.008     Document Type: Conference Paper

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