Simulation of polysilane and polysilyne formation and structure

Thumbnail Image

Date

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Description

We present Monte Carlo simulations of the formation and structure of polysilane, hybrid polysilane/polysilyne and polysilyne networks. The simulation technique allows for the investigation of large networks, containing up to 1000 silicon atoms. Our results show that ring formation is an important factor for all three types of materials. For polysilyne networks, a random structure is found incorporating cyclic substructures, linear chains and branching points.
8 pages, 11 figures

Keywords

Condensed Matter

Citation

URI

http://salesiana.dossiersoluciones.com/handle/123456789/95463

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0102084
 http://arxiv.org/abs/cond-mat/0102084
 J. Chem. Phys. 116, 854 (2002)
 doi:10.1063/1.1425818

Collections

arXiv