Browsing by Keywords "Oligo-thiophene"

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Nature of charge carriers in long doped oligothiophenes: the effect of counterions

Zamoshchik, N.; Salzner, U.; Bendikov, M. (2008)

A series of oligothiophene dications doped with Cl3 - ions were studied using density functional theory (DFT) at the B3LYP/6-31G(d) level. The balance between the bipolaron and polaron pair states was addressed by studying ...
Theoretical investigation of excited states of oligothiophene anions

Alkan, F.; Salzner, U. (2008)

Electron-hole symmetry upon p- and n-doping of conducting organic polymers is rationalized with Hückel theory by the presence of symmetrically located intragap states. Since density functional theory (DFT) predicts very ...