TIGHT-BINDING MOLECULAR-DYNAMICS SIMULATION OF THE DISINTEGRATION OF FULLERENES

Authors
LASZLO I
Citation
I. Laszlo, TIGHT-BINDING MOLECULAR-DYNAMICS SIMULATION OF THE DISINTEGRATION OF FULLERENES, Fullerene science and technology, 5(2), 1997, pp. 375-388
Citations number
30
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical","Material Science
Journal title
Fullerene science and technology → ACNP
ISSN journal
1064122X
Volume
5
Issue
2
Year of publication
1997
Pages
375 - 388
Database
ISI
SICI code
1064-122X(1997)5:2<375:TMSOTD>2.0.ZU;2-X
Abstract
Molecular dynamics simulations of melting and fragmentation are perfor med for the linear chain, ring, bowl and cage structures of C-20 and f or the buckminsterfullerene and graphitene structures of C-60. Stone-W ales rearrangement of carbon atoms is found in graphitene.