摘要
We review some of the computational methodologies used in our research group to develop a better understanding of the geometric and electronic structures of organic-organic interfaces present in the active layer of organic solar cells. We focus in particular on the exciton-dissociation and charge-transfer processes at the pentacene-fullerene interface. We also discuss the local morphology at this interface on the basis of molecular dynamics simulations.
We review some of the computational methodologies used in our research group to develop a better understanding of the geometric and electronic structures of organic-organic interfaces present in the active layer of organic solar cells. We focus in particular on the exciton-dissociation and charge-transfer processes at the pentacene-fullerene interface. We also discuss the local morphology at this interface on the basis of molecular dynamics simulations.
基金
supported by the Deanship of Scientific Research of King Abdulaziz University under an International Collaboration Grant(D-001-433)
the Office of Naval Research(N00014-14-1-0171 P00001)
the National Science Foundation under the STC Program(DMR-0120967)
the CRIF Program(CHE-0946869)
