First-principles study of electron field emission from the carbon nanotube with B doping and H2O adsorption

被引：8

作者：

Chen Cuo-Dong ^{[1
]}

Wang Liu-Ding ^{[1
]}

Zhang Jiao-Qiang ^{[2
]}

Cao De-Cai ^{[1
]}

An Bo ^{[1
]}

Ding Fu-Cai ^{[1
]}

Liang Jin-Kui ^{[1
]}

机构：

[1] Northwestern Polytech Univ, Dept Appl Phys, Xian 710072, Peoples R China

[2] Northwestern Polytech Univ, Dept Appl Chem, Xian 710072, Peoples R China

来源：

ACTA PHYSICA SINICA | 2008年 / 57卷 / 11期

基金：

中国国家自然科学基金;

关键词：

boron doped carbon nanotube; adsorption; density functional theory; electron field emission;

D O I：

10.7498/aps.57.7164

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The electron field emission performance of CNT doped with one Boron atom and with one adsorbed H2O molecular (BCNT + H2O) was investigated through the calculations of density functional theory (DFT) in this paper. The results indicated that there is an atomic scale region of electron congregation near the top of BCNT + H2O, and the electronic density of states (DOS) round the Fermi level is enhanced obviously. It is expected that BCNT + H2O be suitable for the field emission of electrons, judging from the calculation results of DOS, HOMO/LUMO and Mulliken charge population.

引用

页码：7164 / 7167

页数：4

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