物理学报2012，Vol.61Issue(13)：368-373,6.
锯齿型石墨烯带缺陷改性方法研究
Modification of zigzag graphene nanoribbons by patterning vacancies
摘要
Abstract
The transport properties of zigzag graphene nanoribbons （ZGNRs） with different patterns of vacancies are investigated by using the density functional theory and nonequilibrium Green＇s function （NEGF） formalism. It is found that the transport properties vary with lattice type vacancy. For two vacancies, A-B type vacancies have the most significant influence on the conductance of ZGNRs, while A-A type vacancies have the most slightly influence on the conductance. More importantly, the pattern of vacancies has enormous influence on electron transport around the Femi energy. As hexagon carbons are removed, the ZGNRs will be modified, changing from metallic to semiconducting. This lays the theoretical foundation for tuning the electron properties of ZGNRs by patterning vacancies.关键词
ZGNR/缺陷构型/输运性质/改性Key words
ZGNR/vacancy patterns/transport property/modification分类
数理科学引用本文复制引用
张嵛,刘连庆,焦念东,席宁,王越超,董再励..锯齿型石墨烯带缺陷改性方法研究[J].物理学报,2012,61(13):368-373,6.基金项目
国家自然科学基金 （）
国家高技术研究发展计划 （）
中国科学院、国家外国专家局创新团队国际合作伙伴计划资助的课题 （）
