Tight-binding molecular-dynamics simulations of C{sub 61} formation and decomposition in C+C{sub 60} collisions

Journal Article · Fri Aug 01 04:00:00 EDT 1997 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.56.3624· OSTI ID:538529

Cui, Y ^[1]; Liu, L ^[2]

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1. Shanghai Institute of Nuclear Research, Chinese Academy of Sciences, Shanghai 201800, Peoples Republic of (China)
2. Department of Physics, Fudan University, Shanghai 200433, Peoples Republic of (China)

The formation and decomposition of C{sub 61} clusters by collisions of carbon atoms with C{sub 60} clusters have been studied within tight-binding molecular-dynamics simulations. It is found that a carbon projectile can be strongly bound outside a C{sub 60} cage; C{sub 61} may decay into C{sub 60}+C, in which the projectile carbon atom substitutes for a carbon atom in the C{sub 60} target, into C{sub 59}+C{sub 2} and C{sub 58}+C+C{sub 2}. The results are in good agreement with experiments. The C{at}C{sub 60} clusters are found to be formed at high collision energies. The critical energies for formations and decompositions of C{sub 61} clusters with the projectile carbon atoms incident in radial directions are given. {copyright} {ital 1997} {ital The American Physical Society}

• OSTI ID: 538529
• Journal Information: Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 7 Vol. 56; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
ATOM-MOLECULE COLLISIONS
ATOMIC CLUSTERS
CARBON
DECOMPOSITION
FULLERENES
MOLECULAR DYNAMICS METHOD
SIMULATION