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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.
WOS, eLibrary, Scopus. Final 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. } Найти похожие
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