Premium
Polaron migration in doped polysilanes: am i calculations on the radical cation Si 17 (CH 3 ) 36 +
Author(s) -
Clark Timothy,
Gröppel Mwzfioed,
Roth Wolfgang
Publication year - 1995
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.19950071114
Subject(s) - polysilane , polaron , materials science , delocalized electron , doping , conductance , alkyl , chemical physics , conductivity , condensed matter physics , polymer , chemistry , organic chemistry , optoelectronics , electron , composite material , physics , quantum mechanics
The conductivity of bulk polysilanes is reported to occur via the migration of holes. Since there is considerable σ delocalization along the backbone of polysilanes these materials can be considered as a one‐dimensitonal molecular wire, the backbone being the wire and the alkyl side groups acting as the insulator, Here, quantum mechanical calculations on the polysilane model compound Si 17 (CH 3 ) 36 aimed at elucidation of the electronic properties related to electrical conductance are presented.