Ab initio calculation of adhesion and potential corrugation of diamond (001) interfaces (Articolo in rivista)

Type
Label
  • Ab initio calculation of adhesion and potential corrugation of diamond (001) interfaces (Articolo in rivista) (literal)
Anno
  • 2011-01-01T00:00:00+01:00 (literal)
Alternative label
  • Zilibotti G., M. Ferrario, C.M. Bertoni, and M.C. Righi (2011)
    Ab initio calculation of adhesion and potential corrugation of diamond (001) interfaces
    in Computer physics communications
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Zilibotti G., M. Ferrario, C.M. Bertoni, and M.C. Righi (literal)
Pagina inizio
  • 1796 (literal)
Pagina fine
  • 1799 (literal)
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  • 182 (literal)
Rivista
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  • DOI: 10.1016/j.cpc.2010.12.023 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Dipartimento di Fisica, Università di Modena e Reggio Emilia, Via Campi 213/A, 41100 Modena, Italy CNR-Istituto Nanoscienze, Centro S3 di Modena, Italy CNISM, Centro Nazionale Interuniversitario per le Scienze Fisiche della Materia, Italy (literal)
Titolo
  • Ab initio calculation of adhesion and potential corrugation of diamond (001) interfaces (literal)
Abstract
  • The system consisting of two diamond (001) surfaces in contact was studied by means of plane-wave/pseudopotential density functional calculations. Different hydrogen coverages, ranging from fully hydrogenation to bare surfaces, were considered. The adhesion energy was calculated as a function of both the separation and the lateral displacement of the two surfaces. The effects of dangling carbon bonds on the adhesion and potential corrugation are quantitatively discussed (literal)
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