1. Investigating of novel inorganic cubic perovskites of A3BX3 (A=Ca, Sr, B[dbnd]P, As, X=I, Br) and their photovoltaic performance with efficiency over 28%.
- Author
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Ghosh, Avijit, Ferdous Rahman, Md., Kuddus, Abdul, Mohammed, Mustafa K.A., Rasidul Islam, Md., Bhattarai, Sagar, Chaudhry, Aijaz Rasool, and Irfan, Ahmad
- Subjects
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PEROVSKITE , *ELECTRON transport , *SOLAR cells , *QUANTUM efficiency , *LIGHT absorption - Abstract
Inorganic halide perovskite-based compounds of A 3 BX 3 have been gaining huge attention during the development of high-efficiency solar cells (SC) in recent years. This paper, investigating the physical and chemical properties could unveil its further potential to be used as absorber materials in advanced multijunction photovoltaics. The structural, optical, and electronic characterization of different compositional compounds of A 3 BX 3 (A=Ca/Sr, B P/As, X=I/Br) perovskites are examined thoroughly to be used as absorber in high performance photovoltaics. The DFT study reveals direct bandgaps of 1.93 (2.60) eV, 1.58 (2.14) eV, 1.96 (2.63) eV, 1.58 (2.16) eV, 1.52 (2.30) eV, 1.26 (1.94) eV, 1.53 (2.32) eV, and 1.26 (1.96) eV at Γ for the Ca 3 AsBr 3 , Ca 3 AsI 3 , Ca 3 PBr 3 , Ca 3 PI 3 , Sr 3 AsBr 3 , Sr 3 AsI 3 , Sr 3 PBr 3 , and Sr 3 PI 3 perovskites using PBE (HSE) methods with optical absorption of (2−5)x104 (a. u.) in the optical region (< 3.2 eV). Subsequently, the potential of the A 3 BX 3 absorber has been investigated and analyzed at varying layer thickness, defect densities, and doping concentrations with SnS 2 electron transport layer (ETL) layer using FTO/SnS 2 /A 3 BX 3 /Ni heterostructure with current density-voltage (J-V) characteristics and corresponding quantum efficiency (QE) observation. The power conversion efficiency (PCE) of 13.52, 20.88, 13.66, 22.47, 20.83, 28.16, 20.77, and 27.32% were achieved in Ca 3 AsBr 3 , Ca 3 AsI 3 , Ca 3 PBr 3 , Ca 3 PI 3 , Sr 3 AsBr 3 , Sr 3 AsI 3 , Sr 3 PBr 3 , and Sr 3 PI 3 absorber-based heterojunction SC. Notably, the highest PV performance revealed a PCE over 28% with a V OC of 0.913 V, J SC of 35.75 mA/cm−3, and FF of 86.26% obtained in the Sr 3 AsI 3 absorber SCs. Thus, these detailed studies on the physical and optoelectronic properties of eight (8) different possible absorber-based configurations including their PV applications unveil the huge potential of A 3 BX 3 (i.e., Sr 3 AsI 3) and provide resources for the practical cell development of inorganic perovskites-based high efficiency SC over 28%. • The structural, electronic, and optical properties of novel inorganic cubic perovskites of A 3 BX 3 (A=Ca, Sr, B P, As, X=I, Br) were investigated in detail using FP-DFT. • The potential of A 3 BX 3 absorber has been investigated and analyzed at varying layer thickness, defect densities, and doping concentrations with SnS 2 electron transport layer (ETL) systematically. • The photovoltaic performance of A 3 BX 3 absorber based structure were investigated via SCAPS-1D. • The maximum power conversion efficiency was found 28% with V OC 0.913 V of, J SC of 35.75 mA/cm−3, and FF of 86.26% due to Sr 3 AsI 3 absorber. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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