Electronic structure of heterocyclic ring chain polymers

Brocks, Geert and Tol, Arie (1999) Electronic structure of heterocyclic ring chain polymers. Synthetic Metals, 101 (1-3). pp. 516-517. ISSN 0379-6779

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Abstract:	The band gaps, ionization potentials and electron affinities of conjugated chain polymers comprising heterocyclic aromatic rings are studied systematically as a function of atomic substitutions with N, O and S using first principles density functional calculations.
Item Type:	Article
Copyright:	© 1999 Elsevier
Faculty:	Science and Technology (TNW)
Research Group:	Computational Materials Science (CMS)
Link to this item:	http://purl.utwente.nl/publications/74192
Official URL:	http://dx.doi.org/10.1016/S0379-6779(98)01416-7
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Metis ID: 128728