Ion doped metal oxide and its power conversion efficiency influence on Perovskite solar cells

Abstract

ABSTRACT Ion Doped Metal Oxide and its Influence on the Power Conversion Efficiency of Perovskite Solar Cells Dwayne Jensen Reddy Doctor of Applied Sciences This study focuses on the fabrication and characterization of Zinc-doped Titanium dioxide (ZnTiO2) as an Electron Transport Layer (ETL) in CH3NH3PbI3-based perovskite solar cells (PSCs). A one-step spin coating technique under controlled ambient conditions (relative humidity < 65%, room temperature ∼ 20oC ) for the development of PSC was applied to investigate the effects of Zn-ion doping on the structural, morphological, optical, and photovoltaic properties. Numerical simulations using SCAPS 1D were additionally performed to further investigate the influence of ion doping on the power conversion efficiency (PCE) of PSCs. Zn-doped TiO2 was successfully incorporated into the TiO2 crystal structure using the solgel technique. Characterization through X-ray diffraction (XRD) and Energy Dispersive X-ray Spectroscopy (EDX) confirmed the incorporation of Zn ions. The crystallite size ranged from 19.99 to 7.1 nm, depending on the Zn ion doping concentration. XRD results also indicate the formation of a highly crystalline tetragonal perovskite (CH3NH3PbI3) phase. Fourier Transform Infrared (FTIR) spectroscopy verified the presence of the anatase phase of Zn-doped TiO2, while the formation of the adduct of Pb2 with dimethyl sulfoxide (DMSO) and methylammonium iodide (MAI) was confirmed at 1015 cm-1. Scanning Electron Microscope (SEM) images exhibited fairly smooth and uniform surface coverage for the Zn-doped TiO2 layers. The Root Mean Square (Rq) values for surface roughness showed a decrease from 26.85 nm for undoped TiO2 to 23.4 nm for the 5 mol% Zn-doped TiO2 layer. UV-Vis spectroscopy demonstrated low light transmission loss characteristics from 300 to 790 nm, with the 2 mol% Zn-doped TiO2 showing slightly improved light transmission between 550 and 800 nm. The bandgap energy of undoped and Zn-doped TiO2 ranged from 3.53 to 3.38 eV, while the perovskite layer exhibited a bandgap energy of 2.06 eV. Experimentally, an optimum PCE of 5.67% was achieved with a 2 mol% dopant concentration. However, increasing the Zn dopant to 5 mol% led to a slight deterioration in the PCE. Numerical simulations revealed that increasing the donor doping concentration in the ETL improved the conduction band alignment at the ETL and perovskite interface, resulting in a PCE of 6.17%. Optimizing the absorber acceptor doping concentration and band gap improved the PCE to 10.79%, however, created a pronounced conduction band offset at the ETL/perovskite interface. This was mitigated by introducing an interfacial layer of Cubic Silicon Carbide (3C-SiC) between the absorber and ETL to minimize the conduction band offset, ultimately achieving a PCE of 12.09%.