Theoretical investigation of the substitution effects on carrier transport properties of tetrathia[22]annulene-[2,1,2,1] derivatives

DOI10.1007/S10910-015-0583-6MaRDI QIDQ283774zbMATH OpenOpenAlexFDO

Authors Shi-Fa Cao, Jun Yin, Yin-Sheng Huang

Publication date 17 May 2016

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-015-0583-6

zbMATH Keywords

anisotropic mobilitycharge-hopping modeldensity functional theoryorganic semiconductors

Mathematics Subject Classification ID

Chemistry (92E99)

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(5)

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• Charge transport along phenylenevinylene molecular wires
• A CORRESPONDING RELATION BETWEEN ELECTROLUMINESCENT INTENSITY AND THE ENERGY AND CHARGE TRANSFER IN DOPED ORGANIC ELECTROLUMINESCENT DEVICES
• Polaron effect dependence of thermopower in organic semiconductors
• Theoretical calculation on relationship between molecular structure and band gap of benzo[1,2-b:4,5-b\('\)]dithiophene based homopolymer

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• GAUSSIAN

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