First-principles study on work function of carbon nanotubes

被引:8
作者
Zhou, G [1 ]
Kawazoe, Y [1 ]
机构
[1] Tohoku Univ, Mat Res Inst, Sendai, Miyagi 9808577, Japan
关键词
first-principles cluster method; work function; carbon nanotubes;
D O I
10.1016/S0921-4526(02)00878-5
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
In this study, the work functions of semiconducting and metallic single-walled carbon nanotubes are calculated by use of the first-principles cluster method. We find that the calculated work functions of carbon nanotubes are close to the experimental value, and are less sensitive to the tube diameter and conductivity. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:196 / 198
页数:3
相关论文
共 9 条
[1]   Work functions and surface functional groups of multiwall carbon nanotubes [J].
Ago, H ;
Kugler, T ;
Cacialli, F ;
Salaneck, WR ;
Shaffer, MSP ;
Windle, AH ;
Friend, RH .
JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (38) :8116-8121
[2]   Electronic structure and localized states at carbon nanotube tips [J].
Carroll, DL ;
Redlich, P ;
Ajayan, PM ;
Charlier, JC ;
Blase, X ;
DeVita, A ;
Car, R .
PHYSICAL REVIEW LETTERS, 1997, 78 (14) :2811-2814
[3]   Electronic structure and optical limiting behavior of carbon nanotubes [J].
Chen, P ;
Wu, X ;
Sun, X ;
Lin, J ;
Ji, W ;
Tan, KL .
PHYSICAL REVIEW LETTERS, 1999, 82 (12) :2548-2551
[4]   The discrete variational method in density functional theory and its applications to large molecules and solid-state systems [J].
Ellis, DE ;
Guenzburger, D .
ADVANCES IN QUANTUM CHEMISTRY, VOL 34, 1999, 34 :51-141
[5]   Synthesis of large arrays of well-aligned carbon nanotubes on glass [J].
Ren, ZF ;
Huang, ZP ;
Xu, JW ;
Wang, JH ;
Bush, P ;
Siegal, MP ;
Provencio, PN .
SCIENCE, 1998, 282 (5391) :1105-1107
[6]   Work functions and valence band states of pristine and Cs-intercalated single-walled carbon nanotube bundles [J].
Suzuki, S ;
Bower, C ;
Watanabe, Y ;
Zhou, O .
APPLIED PHYSICS LETTERS, 2000, 76 (26) :4007-4009
[7]   Dimensional effects on field emission properties of the body for single-walled carbon nanotube [J].
Zhou, G ;
Duan, WH ;
Gu, BL .
APPLIED PHYSICS LETTERS, 2001, 79 (06) :836-838
[8]   Electronic structure and field-emission characteristics of open-ended single-walled carbon nanotubes [J].
Zhou, G ;
Duan, WH ;
Gu, BL .
PHYSICAL REVIEW LETTERS, 2001, 87 (09)
[9]   First-principles study on morphology and mechanical properties of single-walled carbon nanotube [J].
Zhou, G ;
Duan, WH ;
Gu, BL .
CHEMICAL PHYSICS LETTERS, 2001, 333 (05) :344-349