First-principles study of the effect of functional groups on polyaniline backbone

We present a first-principles density functional theory study focused on how the chemical and electronic properties of polyaniline are adjusted by introducing suitable substituents on a polymer backbone. Analyses of the obtained energy barriers, reaction energies and minimum energy paths indicate th...

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Detalles Bibliográficos
Autores principales: Chen, X. P., Jiang, J. K., Liang, Q. H., Yang, N., Ye, H. Y., Cai, M., Shen, L., Yang, D. G., Ren, T. L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4653613/
https://www.ncbi.nlm.nih.gov/pubmed/26584671
http://dx.doi.org/10.1038/srep16907

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4653613/
https://www.ncbi.nlm.nih.gov/pubmed/26584671
http://dx.doi.org/10.1038/srep16907

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