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Nanocarbon embedded chalcogenides. Onion-like model

M. POPESCU1, F. SAVA1,* , A. LŐRINCZI1, A. VELEA1, I. D. SIMANDAN1

Affiliation

  1. National Institute of Materials Physics, 105 bis Atomistilor Str., P.O. Box MG 7, RO-77125 Măgurele, Romania

Abstract

We modeled the equilibrium structure, at 0 K temperature, of some spherical As2S3 molecules with only 12 rings of ten member (alternating As and S atoms) and 20 triangular faces: As60S90 (like C60), As140S210 (like C140), As320S480 (like C320), grown on carbon fullerene and As20S30 (like C20). We used a Monte-Carlo relaxation procedure in the frame of valence force fields theory. The onion-like configurations of the arsenic sulphide was demonstrated as possible. The deposited films of As2S3 seen in the cross-section prove the presence of onion-like configurations even in pure As2S3 material..

Keywords

Chalcogenides, Nanocarbons, Onion-like configuration.

Submitted at: Nov. 1, 2011
Accepted at: Nov. 23, 2011

Citation

M. POPESCU, F. SAVA, A. LŐRINCZI, A. VELEA, I. D. SIMANDAN, Nanocarbon embedded chalcogenides. Onion-like model, Journal of Optoelectronics and Advanced Materials Vol. 13, Iss. 11-12, pp. 1450-1453 (2011)