Spontaneous Formation and Stability of Small GaP Fullerenes

V. Tozzinni; F. Buda; A. Safolino

doi:10.1103/PhysRevLett.85.4554

Spontaneous Formation and Stability of Small GaP Fullerenes

V. Tozzinni, F. Buda, A. Safolino

Theoretical Chemistry

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Abstract

An ab initio molecular dynamics simulation was used for the spontaneous formation of GaP fullerene cage. The stability of the heterofullerenes was analyzed through a study of the geometric and electronic properties of the neutral and ionized GaP clusters. It was found that the GaP fullerenes upto 28 atoms, have high symmetry, closed electronic shells, and do not dissociate upon ionization.

Original language	English
Pages (from-to)	4554-4557
Number of pages	3
Journal	Physical Review Letters
Volume	85
Issue number	21
DOIs	https://doi.org/10.1103/PhysRevLett.85.4554
Publication status	Published - 2000

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title = "Spontaneous Formation and Stability of Small GaP Fullerenes",

abstract = "An ab initio molecular dynamics simulation was used for the spontaneous formation of GaP fullerene cage. The stability of the heterofullerenes was analyzed through a study of the geometric and electronic properties of the neutral and ionized GaP clusters. It was found that the GaP fullerenes upto 28 atoms, have high symmetry, closed electronic shells, and do not dissociate upon ionization.",

author = "V. Tozzinni and F. Buda and A. Safolino",

year = "2000",

doi = "10.1103/PhysRevLett.85.4554",

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journal = "Physical Review Letters",

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T1 - Spontaneous Formation and Stability of Small GaP Fullerenes

AU - Tozzinni, V.

AU - Buda, F.

AU - Safolino, A.

PY - 2000

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N2 - An ab initio molecular dynamics simulation was used for the spontaneous formation of GaP fullerene cage. The stability of the heterofullerenes was analyzed through a study of the geometric and electronic properties of the neutral and ionized GaP clusters. It was found that the GaP fullerenes upto 28 atoms, have high symmetry, closed electronic shells, and do not dissociate upon ionization.

AB - An ab initio molecular dynamics simulation was used for the spontaneous formation of GaP fullerene cage. The stability of the heterofullerenes was analyzed through a study of the geometric and electronic properties of the neutral and ionized GaP clusters. It was found that the GaP fullerenes upto 28 atoms, have high symmetry, closed electronic shells, and do not dissociate upon ionization.

U2 - 10.1103/PhysRevLett.85.4554

DO - 10.1103/PhysRevLett.85.4554

M3 - Article

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VL - 85

SP - 4554

EP - 4557

JO - Physical Review Letters

JF - Physical Review Letters

IS - 21

ER -

Spontaneous Formation and Stability of Small GaP Fullerenes

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