Regio-random P3HT at metal contacts shows reduced computed and measured interfacial charge transfer, and the non-resonant HD-VSFG intensity scales with the computed charge density across three metals.
Modeling of Nanoscale morphology of regioregular poly (3-hexylthiophene) on a ZnO (1010) surface
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Modeling spontaneous charge transfer at metal/organic hybrid heterostructures
Regio-random P3HT at metal contacts shows reduced computed and measured interfacial charge transfer, and the non-resonant HD-VSFG intensity scales with the computed charge density across three metals.