▎ 摘　　要

In this article, a computational study pertaining to optimal design and simulations of organic Schottky junction solar cells containing poly(3,4ethylenedioxythiophene):poly (styrenesulfonate) (PEDOT:PSS) and graphene layers is undertaken using Silvaco TCAD Atlas tool. Polyethylene terephthalate (PET) is used as a flexible substrate, whereas graphene is taken as cathode for the devices with a structure graphene/PEDOT:PSS/PET. During design and simulation, thickness of the PEDOT:PSS layer is varied from 50 to 90 nm. The optimized device shows excellent photovoltaic characteristics under AM1.5 G illumination. The open-circuit voltage (V-oc), short-circuit current density (J(sc)), full factor (FF) and energy conversion efficiency (eta) is found to be 0.68 V, 0.68 mAcm(-2), 60.34% and 2.87%, respectively. A band diagram is proposed to explain the carrier transport phenomena. The proposed structures do not contain any metallic nanoparticle in the polymer matrix and therefore eliminate the issues arising from the nanoparticle and polymer blend based solar cells where the phase separation between the nanoparticles and polymers lowers the device stability and lifetime.