DFT Studies of Band Gaps of the Fused Thiophene Oligomers
2008
Thienoacenes, Thienohelicenes, HOMO-LUMO, DFTSulfur-rich annulated oligomers and polymers haveattracted growing interest owing to their desirable charac-teristics (electronic, optical, magnetic properties) for fabri-cating electronic and optical devices. Particularly, oligo-thiophenes composed of multiple thiophene rings joined bysingle bonds are among the most frequently studied com-pounds in organic semiconducting materials.
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