Energy characteristics of SiC(0001)-intercalated hydrogen-graphene system

被引：0
|
作者：
S. Yu. Davydov
A. A. Lebedev
机构：
[1] Russian Academy of Sciences,Ioffe Physical
来源：
Technical Physics Letters | 2010年 / 36卷
关键词：
Technical Physic Letter; Bond Polarity; Multi Layer Graphene; Require Energy Consumption; Hexagonal Sheet;
D O I：
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中图分类号：
学科分类号：
摘要：
The properties of a SiC(0001)-H-C(graphene) system have been studied by considering a cluster comprising two C atoms of graphene, three Si atoms of the SiC substrate, and two or three channeled H atoms. Calculations of the electron structure and bond energies are performed using the Harrison bonding orbital method. The influence of channeled H atoms on the system energy are analyzed using two schemes. It is shown that the scheme (A → B) involving two H atoms is energetically unfavorable, while the scheme (A → C) with three H atoms provides a gain in the energy.
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页码：856 / 858
页数：2
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