Energetics and structures of carbon nanorings

被引：20

作者：

Feng, Cong ^{[1
]}

Liew, K. M. ^{[1
]}

机构：

[1] City Univ Hong Kong, Dept Bldg & Construct, Kowloon, Hong Kong, Peoples R China

来源：

CARBON | 2009年 / 47卷 / 07期

关键词：

FULLERENE CROP CIRCLES; NANOTUBE STRUCTURES; HYDROCARBONS; TORI;

D O I：

10.1016/j.carbon.2009.02.015

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Molecular dynamics (MD) simulation is adopted to study the stability of carbon nanorings, where the force-field function describes the interactions of the carbon atoms. A nanoring is formed by bending a straight nanotube (n, m) and connecting its two ends together. Both armchair and zigzag nanorings are investigated, and the critical diameters for stable nanorings are obtained. It is found that zigzag nanorings have a larger critical diameter than armchair nanorings. (C) 2009 Elsevier Ltd. All rights reserved.

引用

页码：1664 / 1669

页数：6

共 16 条

[1] EMPIRICAL POTENTIAL FOR HYDROCARBONS FOR USE IN SIMULATING THE CHEMICAL VAPOR-DEPOSITION OF DIAMOND FILMS [J].

BRENNER, DW .

PHYSICAL REVIEW B, 1990, 42 (15) :9458-9471

[2] A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons [J].

Brenner, DW ;

Shenderova, OA ;

Harrison, JA ;

Stuart, SJ ;

Ni, B ;

Sinnott, SB .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (04) :783-802

[3] CONNECTING CARBON TUBULES [J].

DUNLAP, BI .

PHYSICAL REVIEW B, 1992, 46 (03) :1933-1936

[4] Energetics and structures of fullerene crop circles [J].

Han, J .

CHEMICAL PHYSICS LETTERS, 1998, 282 (02) :187-191

[5] Carbon nanotube closed-ring structures [J].

Hod, O ;

Rabani, E ;

Baer, R .

PHYSICAL REVIEW B, 2003, 67 (19)

[6] Computational studies of carbon nanotube structures [J].

Huhtala, M ;

Kuronen, A ;

Kaski, K .

COMPUTER PHYSICS COMMUNICATIONS, 2002, 147 (1-2) :91-96

[7] Carbon nanotube structures: molecular dynamics simulation at realistic limit [J].

Huhtala, M ;

Kuronen, A ;

Kaski, K .

COMPUTER PHYSICS COMMUNICATIONS, 2002, 146 (01) :30-37

[8] Fullerene 'crop circles' [J].

Liu, J ;

Dai, HJ ;

Hafner, JH ;

Colbert, DT ;

Smalley, RE ;

Tans, SJ ;

Dekker, C .

NATURE, 1997, 385 (6619) :780-781

[9] Structural and electronic properties of a carbon nanotorus: Effects of delocalized and localized deformations [J].

Liu, L ;

Jayanthi, CS ;

Wu, SY .

PHYSICAL REVIEW B, 2001, 64 (03)

[10] Atomistic simulations of formation and stability of carbon nanorings [J].

Liu, P ;

Zhang, YW ;

Lu, C .

PHYSICAL REVIEW B, 2005, 72 (11)

← 1 2 →