Article ID Journal Published Year Pages File Type
5383881 Chemical Physics Letters 2011 5 Pages PDF
Abstract
► Environmental forces affect considerably the ionization potentials of poly(thiophene)s. ► Extrapolation from oligothiophenes to poly(thiophene)s using a third-order polynomial allows consider saturation effects. ► Geometry relaxation in the corresponding medium is crucial to describe the electronic properties in such environment. ► The effect of the medium in the electronic properties of poly(thiophene)s largely depends on their chemical structures.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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