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    Influence of Size Effect on the Electronic and Elastic Properties of Diamond Films with Nanometer Thickness / L. A. Chernozatonskii [et al.] // J. Phys. Chem. C. - 2011. - Vol. 115, Is. 1. - P. 132-136, DOI 10.1021/jp1080687. - Cited Reference Count: 37. - Гранты: L.A.C. was supported by the Russian Academy of Sciences, program No. 21 and by the Russian Foundation for Basic Research (project no. 08-02-01096). P.B.S. and B.I.Y. acknowledge support by the Office of Naval Research (MURI project). P.V.A. and P.B.S. also acknowledge the collaborative RFBR-JSPS grant no. 09-02-92107-R Phi. We are grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for the possibility of using a cluster computer for quantum chemical calculations. The geometry of all presented structures was visualized by commercial Chem-Craft software. - Финансирующая организация: Russian Academy of Sciences [21]; Russian Foundation for Basic Research [08-02-01096]; Office of Naval Research (MURI); RFBR-JSPS [09-02-92107-RPhi] . - JAN 13. - ISSN 1932-7447
Рубрики:
REVERSIBLE HYDROGENATION
   GRAPHENE
   GRAPHANE
   Atomic structure
   Band gaps
   Diamond nanocrystals
   Elastic properties
   Electronic band structure calculation
   Energy stability
   Experimental data
   Hydrogen atoms
   Nanometer thickness
   Size effects
   Theoretical result
   Diamond films
   Elasticity
   Carbon films
Кл.слова (ненормированные):
Atomic structure -- Band gaps -- Diamond nanocrystals -- Elastic properties -- Electronic band structure calculation -- Energy stability -- Experimental data -- Hydrogen atoms -- Nanometer thickness -- Size effects -- Theoretical result -- Diamond films -- Elasticity -- Carbon films
Аннотация: The atomic structure and physical properties of few-layered <111> oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of <111> layers. All theoretical results were compared with available experimental data.
The atomic structure and physical properties of few-layered 〈111〉 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 〈111〉 layers. All theoretical results were compared with available experimental data. © 2010 American Chemical Society.

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Держатели документа:
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77251 USA
Rice Univ, Dept Chem, Houston, TX 77251 USA
Technol Inst Superhard & Novel Carbon Mat, Troitsk 142190, Moscow Region, Russia
Russian Acad Sci, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan

Доп.точки доступа:
Chernozatonskii, L.A.; Sorokin, P.B.; Kuzubov, A.A.; Kvashnin, A.G.; Kvashnin, D.G.; Avramov, P.V.; Yakobson, B.I.; Sorokin, B.P.
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