Electronic structure and optical property of boron doped semiconducting graphene nanoribbons

被引：6

作者：

Chen AQing ^{[2
]}

Shao QingYi ^{[1
]}

Wang Li ^{[2
]}

Deng Feng ^{[2
]}

机构：

[1] S China Normal Univ, Sch Phys & Telecommun Engn, Lab Quantum Informat Technol, Guangzhou 510006, Guangdong, Peoples R China

[2] Leshan Vocat & Tech Coll, Sch New Energy Engn, Leshan 614000, Peoples R China

来源：

SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY | 2011年 / 54卷 / 08期

关键词：

B-doped graphene nanoribbons; electronic structure; optical property; density functional theory;

D O I：

10.1007/s11433-011-4408-8

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a system study on the electronic structure and optical property of boron doped semiconducting graphene nanoribbons using the density functional theory. Energy band structure, density of states, deformation density, Mulliken popular and optical spectra are considered to show the special electronic structure of boron doped semiconducting graphene nanoribbons. The C-B bond form is discussed in detail. From our analysis it is concluded that the Fermi energy of boron doped semiconducting graphene nanoribbons gets lower than that of intrinsic semiconducting graphene nanoribbons. Our results also show that the boron doped semiconducting graphene nanoribbons behave as p-type semiconducting and that the absorption coefficient of boron doped armchair graphene nanoribbons is generally enhanced between 2.0 eV and 3.3 eV. Therefore, our results have a great significance in developing nano-material for fabricating the nano-photovoltaic devices.

引用

页码：1438 / 1442

页数：5

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