Semiconducting Electronic Property of Graphene Adsorbed on (0001) Surfaces of SiO2

被引：169

作者：

Cuong, Nguyen Thanh ^{[1
,3
]}

Otani, Minoru ^{[1
,3
]}

Okada, Susumu ^{[2
,3
]}

机构：

[1] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst NRI, Tsukuba, Ibaraki 3058568, Japan

[2] Univ Tsukuba, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058571, Japan

[3] CREST, Japan Sci & Technol Agcy, Chiyoda Ku, Tokyo 1020075, Japan

来源：

PHYSICAL REVIEW LETTERS | 2011年 / 106卷 / 10期

基金：

日本科学技术振兴机构;

关键词：

ALPHA-QUARTZ SURFACE; 1ST-PRINCIPLES MOLECULAR-DYNAMICS; BILAYER GRAPHENE; EPITAXIAL GRAPHENE; GAS; BANDGAP; STATE;

D O I：

10.1103/PhysRevLett.106.106801

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

First-principles total energy calculations are performed to investigate the energetics and electronic structures of graphene adsorbed on both an oxygen-terminated SiO2 (0001) surface and a fully hydroxylated SiO2 (0001) surface. We find that there are several stable adsorption sites for graphene on both O-terminated and hydroxylated SiO2 surfaces. The binding energy in the most stable geometry is found to be 15 meV per C atom, indicating a weak interaction between graphene and SiO2 (0001) surfaces. We also find that the graphene adsorbed on SiO2 is a semiconductor irrespective of the adsorption arrangement due to the variation of on-site energy induced by the SiO2 substrate.

引用

页数：4

共 30 条

[1] Electronic confinement and coherence in patterned epitaxial graphene [J].