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RESEARCH PRODUCT

Theoretical search for low-band-gap vinylene linked polymers: heteroarylene vinylene copolymers

Enrique OrtíR. CrespoM.c. PiquerasFrancisco Tomás

subject

chemistry.chemical_classificationMaterials scienceBand gapMechanical EngineeringHeteroatomMetals and AlloysPolymerCondensed Matter PhysicsElectronic Optical and Magnetic MaterialschemistryMechanics of MaterialsPolymer chemistryMaterials ChemistryCopolymerElectronic properties

description

Abstract We report a study of the role of the heteroatoms on the electronic properties of poly(thienylene vinylene-co-furylene vinylene), poly(thienylene vinylene-co-pyrrylene vinylene) and poly(furylene vinylene-co-pyrrylene vinylene) at the VEH level. The theoretical calculations show that the electronic properties depend on the nature of the heteroatoms present in the copolymer. The VEH trends are in accord with experimental and theoretical data reported in the literature.

https://doi.org/10.1016/0379-6779(93)90783-s