Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/79638
Type: Artigo de periódico
Title: Structural and electronic characterization of chemical and conformational defects in conjugated polymers
Author: Wong, KF
Skaf, MS
Yang, CY
Rossky, PJ
Bagchi, B
Hu, DH
Yu, J
Barbara, PF
Abstract: Quantum chemical analyses of poly(p-phenylenevinylene) (PPV)-based polymers with conformational and chemical defects are presented. It is shown that defects leading to tetrahedral kinks in the polymerization direction that were proposed previously to explain the optical anisotropy of polymer films (Hu et al. Nature 2000, 405, 1030) are indeed energetically stable. These defects are shown not to affect the primary electronic absorption band, but they may localize the electron-hole excitation in one segment of the polymer chain.
Country: EUA
Editor: Amer Chemical Soc
Rights: fechado
Identifier DOI: 10.1021/jp010392b
Date Issue: 2001
Appears in Collections:Unicamp - Artigos e Outros Documentos

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