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Density-functional based tight-binding calculations on thiophene polymorphism
Abstract   Peer reviewed

Density-functional based tight-binding calculations on thiophene polymorphism

J Widany, G Daminelli, A Di Carlo and Paolo Lugli
IWCE Glasgow 2000: 7th International Workshop on Computational Electronics; 22nd-25th May, 2000, University of Glasgow, Scotland; book of abstracts
7th International Workshop on Computational Electronics (IWCE 2000) (Glasgow, 22/05/2000 - 25/05/2000)
2000
DOI: https://doi.org/10.1109/IWCE.2000.869963
Handle:
https://hdl.handle.net/10863/9985

Abstract

Sensors
In this work we present the results of density-functional based tight-binding (DFTB) calculations on the inter-molecular interaction of the following thiophene crystals: /spl beta/-tetramethyl-quaterthiophene (TM4T), monoclinic and triclinic /spl beta/-tetra(methylsulphanyl)-quaterthiophene (TMS4T), and monoclinic and triclinic /spl beta/-tetramethyl-sexithiophene (TM6T).
url
http://ieeexplore.ieee.org/abstract/document/869963/View

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