DISINTEGRATION AND FORMATION OF C-60

被引：78

作者：

WANG, CZ

XU, CH

CHAN, CT

HO, KM

机构：

[1] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS,AMES,IA 50011

[2] IOWA STATE UNIV SCI & TECHNOL,MICROELECTR RES CTR,AMES,IA 50011

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1992年 / 96卷 / 09期

关键词：

D O I：

10.1021/j100188a001

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：

The disintegration and formation of the C60 fullerene are studied using molecular dynamics simulations. The interactions between carbon atoms are described with a tight-binding potential model that yields structural and vibrational properties of the molecule in good agreement with experimental data. The simulations show that C60 is stable against spontaneous disintegration up to 5000 K. The cage formation process is also observed by cooling and compressing 60 carbon atoms from the gas phase.

引用

页码：3563 / 3565

页数：3

共 13 条

[1] VIBRATIONAL RAMAN AND INFRARED-SPECTRA OF CHROMATOGRAPHICALLY SEPARATED C60 AND C70 FULLERENE CLUSTERS
BETHUNE, DS
MEIJER, G
TANG, WC
ROSEN, HJ
GOLDEN, WG
SEKI, H
BROWN, CA
DEVRIES, MS
[J]. CHEMICAL PHYSICS LETTERS, 1991, 179 (1-2) : 181 - 186
[2] NUCLEATION OF C60 CLUSTERS
CHELIKOWSKY, JR
[J]. PHYSICAL REVIEW LETTERS, 1991, 67 (21) : 2970 - 2973
[3] ELECTRONIC AND VIBRATIONAL PROPERTIES OF C60 AT FINITE TEMPERATURE FROM ABINITIO MOLECULAR-DYNAMICS
FEUSTON, BP
ANDREONI, W
PARRINELLO, M
CLEMENTI, E
[J]. PHYSICAL REVIEW B, 1991, 44 (08): : 4056 - 4059
[4] SOLID C-60 - A NEW FORM OF CARBON
KRATSCHMER, W
LAMB, LD
FOSTIROPOULOS, K
HUFFMAN, DR
[J]. NATURE, 1990, 347 (6291) : 354 - 358
[5] THE INFRARED AND ULTRAVIOLET-ABSORPTION SPECTRA OF LABORATORY-PRODUCED CARBON DUST - EVIDENCE FOR THE PRESENCE OF THE C-60 MOLECULE
KRATSCHMER, W
FOSTIROPOULOS, K
HUFFMAN, DR
[J]. CHEMICAL PHYSICS LETTERS, 1990, 170 (2-3) : 167 - 170
[6] C-60 - BUCKMINSTERFULLERENE
KROTO, HW
HEATH, JR
OBRIEN, SC
CURL, RF
SMALLEY, RE
[J]. NATURE, 1985, 318 (6042) : 162 - 163
[7] SOLID-STATE MAGNETIC-RESONANCE SPECTROSCOPY OF FULLERENES
TYCKO, R
HADDON, RC
DABBAGH, G
GLARUM, SH
DOUGLASS, DC
MUJSCE, AM
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (02) : 518 - 520
[8] ELECTRONIC-STRUCTURE OF SOLID C60 - EXPERIMENT AND THEORY
WEAVER, JH
MARTINS, JL
KOMEDA, T
CHEN, Y
OHNO, TR
KROLL, GH
TROULLIER, N
HAUFLER, RE
SMALLEY, RE
[J]. PHYSICAL REVIEW LETTERS, 1991, 66 (13) : 1741 - 1744
[9] ROTATION VIBRATION-SPECTRA OF ICOSAHEDRAL MOLECULES .2. ICOSAHEDRAL SYMMETRY, VIBRATIONAL EIGENFREQUENCIES, AND NORMAL-MODES OF BUCKMINSTERFULLERENE
WEEKS, DE
HARTER, WG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (09) : 4744 - 4771
[10] XU CH, IN PRESS

← 1 2 →