Fullerene neighbours

Z. Slanina; M. L. Sun; S. L. Lee; L. Adamowicz

Fullerene neighbours

Z. Slanina, M. L. Sun, S. L. Lee, L. Adamowicz

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

Abstract

Semiempirical quantum-chemical calculations are reported for the fullerenic structures C₆₀, Si₆₀, Ge₆₀, N₆₀; B₃₆N₂₄, B₃₆P₂₄, Al₃₆N₂₄, Al₃₆P₂₄; and various B_nN_n. A new route towards B/N clusters is considered, being based on squares and hexagons. The pattern always requires six squares. The route can produce species of similar or even higher stability comparing to the conventional pentagon/hexagon pattern. Four particular stoichiometries emerge from the available AM1 computations: B₁₂N₁₂, B₂₈N₂₈, B₃₆N₃₆, and B₃₆N₂₄.

Original language	English (US)
Pages (from-to)	175-180
Number of pages	6
Journal	Materials Research Society Symposium - Proceedings
Volume	359
State	Published - 1995
Externally published	Yes
Event	Proceedings of the 1994 MRS Fall Meeting - Boston, MA, USA Duration: Nov 28 1994 → Nov 30 1994

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Cite this

@article{a6d8afc88ad84bfd93591a60f339f66c,

title = "Fullerene neighbours",

abstract = "Semiempirical quantum-chemical calculations are reported for the fullerenic structures C60, Si60, Ge60, N60; B36N24, B36P24, Al36N24, Al36P24; and various BnNn. A new route towards B/N clusters is considered, being based on squares and hexagons. The pattern always requires six squares. The route can produce species of similar or even higher stability comparing to the conventional pentagon/hexagon pattern. Four particular stoichiometries emerge from the available AM1 computations: B12N12, B28N28, B36N36, and B36N24.",

author = "Z. Slanina and Sun, {M. L.} and Lee, {S. L.} and L. Adamowicz",

year = "1995",

language = "English (US)",

volume = "359",

pages = "175--180",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

note = "Proceedings of the 1994 MRS Fall Meeting ; Conference date: 28-11-1994 Through 30-11-1994",

}

TY - JOUR

T1 - Fullerene neighbours

AU - Slanina, Z.

AU - Sun, M. L.

AU - Lee, S. L.

AU - Adamowicz, L.

PY - 1995

Y1 - 1995

N2 - Semiempirical quantum-chemical calculations are reported for the fullerenic structures C60, Si60, Ge60, N60; B36N24, B36P24, Al36N24, Al36P24; and various BnNn. A new route towards B/N clusters is considered, being based on squares and hexagons. The pattern always requires six squares. The route can produce species of similar or even higher stability comparing to the conventional pentagon/hexagon pattern. Four particular stoichiometries emerge from the available AM1 computations: B12N12, B28N28, B36N36, and B36N24.

AB - Semiempirical quantum-chemical calculations are reported for the fullerenic structures C60, Si60, Ge60, N60; B36N24, B36P24, Al36N24, Al36P24; and various BnNn. A new route towards B/N clusters is considered, being based on squares and hexagons. The pattern always requires six squares. The route can produce species of similar or even higher stability comparing to the conventional pentagon/hexagon pattern. Four particular stoichiometries emerge from the available AM1 computations: B12N12, B28N28, B36N36, and B36N24.

UR - http://www.scopus.com/inward/record.url?scp=0029218318&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0029218318&partnerID=8YFLogxK

M3 - Conference article

AN - SCOPUS:0029218318

SN - 0272-9172

VL - 359

SP - 175

EP - 180

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

T2 - Proceedings of the 1994 MRS Fall Meeting

Y2 - 28 November 1994 through 30 November 1994

ER -

Fullerene neighbours

Abstract

ASJC Scopus subject areas

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