PHASE TRANSITIONS IN QUASI-TWO-DIMENSIONAL CARBON MATERIALS

被引：0

作者：

Kvashnin, A. G. ^{[1
]}

Kvashnina, Yu. A. ^{[1
]}

Antipina, L. Yu. ^{[1
]}

Kvashnina, O. P. ^{[1
]}

Sorokina, T. P. ^{[1
]}

Sorokin, P. B. ^{[1
]}

机构：

[1] Russian Natl Res Med Univ, State Univ, Moscow Inst Phys & Technol, Technol Inst Superhard & New Carbon Mat, Moscow, Russia

来源：

IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII KHIMIYA I KHIMICHESKAYA TEKHNOLOGIYA | 2014年 / 57卷 / 05期

关键词：

DFT; graphene; graphane; diamane; ultrathin diamond film; phase transitions;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The stability of the diamond films with (111) and (110) crystallographic orientations of the surface was investigated using the method of density functional theory. Phase diagram for the transition from multilayered graphene into diamond film was obtained as a function of the film thickness and surface type (pure or hydrogenated ones). We show that chemically induced phase transition changes significantly the transformation process of multilayered graphene to diamond film. For the first time, the atomic structure, stability and phase diagram were obtained for the diamond films with (110) crystallographic orientations of the surface.

引用

页码：71 / +

页数：6

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