Diamond-like C2H nanolayer, diamane: Simulation of the structure and properties


Тип публикации: статья из журнала

Год издания: 2009

Идентификатор DOI: 10.1134/S0021364009140112

Аннотация: We consider a new C2H nanostructure based on bilayer graphene transformed under the covalent bond of hydrogen atoms adsorbed on its external surface, as well as compounds of carbon atoms located opposite each other in neighboring layers. They constitute a "film" of the aOE (c) 111 > diamond with a thickness of less than 1 nm, whichПоказать полностьюis called diamane. The energy characteristics and electron spectra of diamane, graphene, and diamond are calculated using the density functional theory and are compared with each other. The effective Young's moduli and destruction thresholds of diamane and graphene membranes are determined by the molecular dynamics method. It is shown that C2H diamane is more stable than CH graphane, its dielectric "gap" is narrower than the band gap of bulk diamond (by 0.8 eV) and graphane (by 0.3 eV), and is harder and more brittle than the latter.

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Выпуск журнала: Vol. 90, Is. 2

Номера страниц: 134-138

ISSN журнала: 00213640

Место издания: NEW YORK



  • Chernozatonskii L.A. (Emanuel Institute of Biochemical Physics,Russian Academy of Sciences)
  • Sorokin P.B. (Siberian Federal University)
  • Kvashnin A.G. (Siberian Federal University)
  • Kvashnin D.G. (Siberian Federal University)

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