Modelling and simulation studies of bulk hetero junction organic solar cells

Abstract

Solar cells (SCs), an indispensable energy-harvesting devices, have always been at theforefront of cutting-edge research. Bulk hetero-junction organic solar cells (BHJOSCs)offer a promising pathway for developing affordable, flexible, and customizable solar en-ergy solutions. Extensive research has been carried out in this field to enhance deviceperformance through various design modifications and the implementation of advancedtechnologies.Although traditional SCs continue to dominate the market due to their high efficiency,ongoing research to identify novel materials is essential to minimize toxicity, improve dura-bility, and reduce overall degradation. This research primarily focuses on understandingthe complexities of existing BHJOSC designs and addressing their major limitations.Fullerene and non-fullerene acceptor (NFA) materials are considered highly promis-ing candidates for BHJOSCs because of their excellent opto-electronic properties. Theirsuitable band gap and high absorption capability make them particularly attractive fordevice optimization. Furthermore, an in-depth investigation into their physical propertiesand environmental impact is crucial for sustainable development.The thesis entitled “Modelling and Simulation Studies of Bulk Hetero-junction Or-ganic Solar Cells” explores the design and simulation of BHJOSCs based on P3HT:PCBM,PBDB-T:NCBDT and PBDB-T:INTIC systems. Key parameters such as layer thickness,doping concentration, band gap, temperature, and defect density have been systemati-cally analyzed. The simulation results reveal potential efficiency enhancements throughcustom- engineered device architectures.Comprehensive studies were conducted using SCAPS-1D software to identify moreefficient and environmentally friendly BHJOSC structures. Special emphasis is placed onthe incorporation of graphene derivatives as carrier transport interfacial layers. A noveldevice structure exhibiting maximum efficiency was designed, where reduced graphene ox-ide (rGO) demonstrated superior performance as a hole transport layer (HTL).This research underscores the potential of graphene derivatives in overcoming currentchallenges and advancing both the efficiency and stability of BHJOSCs