Local electronic structure of lithium absorbed in carbon nanotubes

被引：4

作者：

Liu, Y ^{[1
]}

Yukawa, H ^{[1
]}

Morinaga, M ^{[1
]}

机构：

[1] Nagoya Univ, Grad Sch Engn, Dept Mat Sci & Engn, Chikusa Ku, Nagoya, Aichi 4648603, Japan

来源：

MOLECULAR CRYSTALS AND LIQUID CRYSTALS | 2002年 / 387卷

关键词：

carbon nanotube; Li absorption; anode material; electronic structure;

D O I：

10.1080/10587250290113619

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The Li absorption energies of single-walled armchair (6,6) and zigzag (12,0) carbon nanotubes are investigated by the first-principles molecular orbital methods. It is found that Li can be absorbed inside as well as outside these carbon nanotubes with the approximately similar absorption energy. It is still energetically favorable for Li to be absorbed both inside and outside carbon nanotubes. Furthermore, it is shown that the Li absorption weakens the covalent C-C bond, but instead forms the ionic Li-C bond which works to stabilize the Li carbon nanotube material.

引用

页码：323 / 329

页数：7

共 50 条

[41] Electronic structure of kinked multiwalled carbon nanotubes
Tekleab, D
Czerw, R
Carroll, DL
Ajayan, PM
APPLIED PHYSICS LETTERS, 2000, 76 (24) : 3594 - 3596
[42] Electronic structure of atomically resolved carbon nanotubes
Wildöer, JWG
Venema, LC
Rinzler, AG
Smalley, RE
Dekker, C
NATURE, 1998, 391 (6662) : 59 - 62
[43] Electronic structure and quantum transport in carbon nanotubes
J.-C. Charlier
J.-P. Issi
Applied Physics A, 1998, 67 : 79 - 87
[44] Atomic and electronic structure of divacancies in carbon nanotubes
Berber, Savas
Oshiyama, Atsushi
PHYSICAL REVIEW B, 2008, 77 (16):
[45] Optimization of the calculations of the electronic structure of carbon nanotubes
Fedorov, AS
Sorokin, PB
PHYSICS OF THE SOLID STATE, 2005, 47 (11) : 2196 - 2202
[46] Electronic structure of Pd nanoparticles on carbon nanotubes
Felten, A.
Ghijsen, J.
Pireaux, J. -J.
Drube, W.
Johnson, R. L.
Liang, D.
Hecq, M.
Van Tendeloo, G.
Bittencourt, C.
MICRON, 2009, 40 (01) : 74 - 79
[47] Electronic structure of atomically resolved carbon nanotubes
Jeroen W. G. Wilder
Liesbeth C. Venema
Andrew G. Rinzler
Richard E. Smalley
Cees Dekker
Nature, 1998, 391 : 59 - 62
[48] Local electronic structure of single-walled carbon nanotubes from electrostatic force microscopy
Heo, JS
Bockrath, M
NANO LETTERS, 2005, 5 (05) : 853 - 857
[49] Field emission of carbon nanotubes and electronic structure of carbon nanopeapods
Kim, G
Son, YW
Cho, Y
Han, S
Ihm, J
CURRENT APPLIED PHYSICS, 2002, 2 (01) : 57 - 60
[50] Electronic structure of defects and quantum transport in carbon nanotubes
Eom, JH
Lee, H
Im, J
Park, C
Jeong, BW
Kim, S
Ihm, J
PHYSICA B-CONDENSED MATTER, 2006, 376 : 7 - 10

← 1 2 3 4 5 →