Abstract

Halide based perovskite offers numerous advantages such as high-efficiency, low-cost, and simple fabrication for flexible solar cells. However, long-term stability as well as environmentally green lead-free applications are the real challenges for their commercialization. Generally, the best reported perovskite solar cells are composed of toxic lead (Pb) and unstable polymer as the absorber and electron/hole-transport layer, respectively. Therefore, in this study, we proposed and simulated the photovoltaic responses of lead-free absorber such as cesium titanium (IV) bromide, Cs2TiBr6 with dopant free electron phenyl-C61-butyric acid methyl ester (PCBM), and dopant free hole transport layer N,N′-Di(1-naphthyl)-N,N′-diphenyl-(1,1′-biphenyl)-4,4′-diamine (NPB) for the Ag/BCP/PCBM/Cs2TiBr6/NPB/ITO based perovskite solar cell. After comprehensive optimization of each layer through vigorous simulations with the help of software SCAPS 1D, it is observed that the proposed solar cell can yield maximum power-conversion efficiency up to 16.85%. This efficiency is slightly better than the previously reported power-conversion efficiency of a similar type of perovskite solar cell. We believe that the outcome of this study will not only improve our knowledge, but also triggers further investigation for the dopant and lead-free perovskite solar cell.

Highlights

  • From the last few years, the power-conversion efficiency of perovskite solar cell has jumped from 3.8 to 25.5%, showing a remarkable progress in the history of photovoltaic industry [1]

  • A novel lead-free perovskite compound such as cesium titanium (IV) bromide (Cs2TiBr6) is being very popular and many researchers believe that this perovskite material has the full potential to replace MAPbI3 for photovoltaic applications [3,4,5]

  • Dopant-free bathocuproine (BCP) as a buffer layer between the cathode and phenyl-C61-butyric acid methyl ester (PCBM) is highly recommended to further improve the hysteresis, power-conversion efficiency, and stability of the perovskite solar cell [9]. Both BCP/PCBM combinations were used as an electron-transport layer for the proposed perovskite solar cell

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Summary

Introduction

From the last few years, the power-conversion efficiency of perovskite solar cell has jumped from 3.8 to 25.5%, showing a remarkable progress in the history of photovoltaic industry [1]. Dopant-free bathocuproine (BCP) as a buffer layer between the cathode and PCBM is highly recommended to further improve the hysteresis, power-conversion efficiency, and stability of the perovskite solar cell [9]. Both BCP/PCBM combinations were used as an electron-transport layer for the proposed perovskite solar cell. Polymers 2021, 13, 2110 and PCBM is highly recommended to further improve the hysteresis, power-conversion efficiency, and stability of the perovskite solar cell [9]. Thickness Energy Band Gap Electron Affinity Dielectric Permittivity (Relative) Effective Density of States at Valence Band

Results and Discussion
Thickness Optimization of Electron Transport Layer
Thickness Optimization of Hole Transport Layer
Photovoltaic Response of Proposed Solar Cell
External Quantum Efficiency of Proposed Solar Cell
Thermal Stability of the Proposed Solar Cell
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