Design and Analysis of Polymer Based Hybrid Solar Cells and Theoretical Characterization of CH3NH3PbI3 For Solar Cell

Abstract

In the present work, Initially bulk hetero-junction (BHJ) organic solar cell (OSC) was fabricated newlineusing poly(3-hexylthiophene) (P3HT): [6,6]-phenyl C71 butyric acid methyl ester (PC71BM) newlineblend and very low power conversion efficiency (PCE) of the OSC was observed. To improve newlinethe efficiency, Deoxyribonucleic acid - hexadecyltrimethylammonium chloride (DNA- CTMA) newlineelectron blocking interlayer (EBL) was introduced between the hole transport layer (HTL) and newlineP3HT:PC71BM. The PCE of conducting polymer solar cells (PSC) increased significantly by newlineincorporating EBL. The DNA-CTMA EBL reduced the non-geminate recombination at the HTL newlineand P3HT: PC71BM interface resulting in significant enhancement ~ 33% of PCE. newlineIn other device structure, poly[N-900-hepta-decanyl-2,7-carbazole-alt-5,5(40,70-di-2-thienyl- newline20,10,30-benzothiadiazole)] (PCDTBT) was used as a donor and PC71BM was used as an newlineacceptor. A systematic preparation of PCDTBT:PC71BM blends, loading of core shell cadmium newlineselenide/zinc sulphide (CdSe/ZnS) nanostructures and thermal annealing (at 100°C, 110°C and newline120 °C) has been employed to measure the effect of CdSe/ZnS and thermal stability of the newlinedevices. It has been observed that interfacing with electron-accepter layer of CdSe/ZnS, the Jsc newlineand PCE of the devices were enhanced. Maximum PCE of 4.6% is achieved in the newlinePCDTBT:PC71BMatCdSe/ZnS device, compared with the PCE of PCDTBT:PC71BM basic newlinedevice (3.2 %), for the same operating temperature and annealing time i.e. 100 °C for a period of newline2 hrs. In theoretical study, Organometal halide perovskites, Methylammonium lead triiodide newline(CH3NH3PbI3) which is an ideal photovoltaic (PV) material has been studied. In this work, to newlineprobe the charge transfer mechanism of CH3NH3PbI3, density functional theory (DFT) and timedependent newlinedensity functional theory (TDDFT) have been used. Ground and excited states newlineoptimized geometry, UV-Vis spectrum and vibrational frequencies of CH3NH3PbI3 molecule are newlineinvestigated. newline newline