Energetics of fullerene clusters

Slava V. Rotkin; Robert A. Suris

doi:10.1557/proc-529-175

Energetics of fullerene clusters

Slava V. Rotkin, Robert A. Suris

Engineering Science and Mechanics

Research output: Contribution to journal › Conference article › peer-review

2 Scopus citations

Abstract

A new phenomenological model for calculation of formation energy of carbon nano-clusters of definite shape is proposed. The model uses only three energetic parameters: two first, E_c and ε₅, being determined from comparison with experimental data, results of computer simulation for various carbon nano clusters, and the last one is dangling bond energy, E_b. Energies of formation of carbon clusters shaped as cylinder, sphere, icosahedral polyhedra, capsule, were calculated in frame of unified phenomenological approach, which allows to judge relative energetical stability of these clusters.

Original language	English (US)
Pages (from-to)	175-180
Number of pages	6
Journal	Materials Research Society Symposium - Proceedings
Volume	529
DOIs	https://doi.org/10.1557/proc-529-175
State	Published - 1998
Event	Proceedings of the 1998 MRS Spring Meeting - San Francisco, CA, USA Duration: Apr 13 1998 → Apr 16 1998

All Science Journal Classification (ASJC) codes

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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title = "Energetics of fullerene clusters",

abstract = "A new phenomenological model for calculation of formation energy of carbon nano-clusters of definite shape is proposed. The model uses only three energetic parameters: two first, Ec and ε5, being determined from comparison with experimental data, results of computer simulation for various carbon nano clusters, and the last one is dangling bond energy, Eb. Energies of formation of carbon clusters shaped as cylinder, sphere, icosahedral polyhedra, capsule, were calculated in frame of unified phenomenological approach, which allows to judge relative energetical stability of these clusters.",

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year = "1998",

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language = "English (US)",

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publisher = "Materials Research Society",

note = "Proceedings of the 1998 MRS Spring Meeting ; Conference date: 13-04-1998 Through 16-04-1998",

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T1 - Energetics of fullerene clusters

AU - Rotkin, Slava V.

AU - Suris, Robert A.

PY - 1998

Y1 - 1998

N2 - A new phenomenological model for calculation of formation energy of carbon nano-clusters of definite shape is proposed. The model uses only three energetic parameters: two first, Ec and ε5, being determined from comparison with experimental data, results of computer simulation for various carbon nano clusters, and the last one is dangling bond energy, Eb. Energies of formation of carbon clusters shaped as cylinder, sphere, icosahedral polyhedra, capsule, were calculated in frame of unified phenomenological approach, which allows to judge relative energetical stability of these clusters.

AB - A new phenomenological model for calculation of formation energy of carbon nano-clusters of definite shape is proposed. The model uses only three energetic parameters: two first, Ec and ε5, being determined from comparison with experimental data, results of computer simulation for various carbon nano clusters, and the last one is dangling bond energy, Eb. Energies of formation of carbon clusters shaped as cylinder, sphere, icosahedral polyhedra, capsule, were calculated in frame of unified phenomenological approach, which allows to judge relative energetical stability of these clusters.

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DO - 10.1557/proc-529-175

M3 - Conference article

AN - SCOPUS:0032315978

SN - 0272-9172

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JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

T2 - Proceedings of the 1998 MRS Spring Meeting

Y2 - 13 April 1998 through 16 April 1998

ER -

Energetics of fullerene clusters

Abstract

All Science Journal Classification (ASJC) codes

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