用于低成本光伏的卤化物钙钛矿材料RbSeBr3的四方结构的光电和热电性质

Rabah Mehyaoui, K. Benyahia
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引用次数: 1

摘要

钙钛矿太阳能电池以其高效、低成本的特点,是未来能源生产的发展方向。本文采用全势线性化增广平面波(FP-LAPW)方法,利用Wien2k编码,以PerdewBurke-Ernzerh广义梯度近似(PBE-GGA)、局部密度近似(LDA)和改进的Becke-Johnson (mBJ-LDA)作为交换相关势,研究了四边形无机haldeperovskiterbsebr3的结构、电子和光学性质。利用玻尔兹阱(BoltzTrap)编码对其热电性质进行了计算,结果表明所研究的化合物(RbSeBr3)具有金属性质,可以在紫外波段用作吸收剂;另一方面,热电功率显示出很高的价值。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Optoelectronic and Thermoelectric Properties of the Tetragonal Structure of the Halide Perovskite Material RbSeBr3 used for low-cost Photovoltaic
Perovskite solar cells are the future of energy production due to the high- efficiency and low production costs. In this work, the structural, electronic and optical properties of the tetragonal inorganic halideperovskiteRbSeBr3 are performed using the full potential linearized augmented plane waves (FP-LAPW) method with the PerdewBurke–Ernzerh generalized gradient approximation (PBE-GGA) as well as the local density approximation (LDA) and the modified Becke-Johnson (mBJ-LDA) as exchange correlation potentials using Wien2k code. Furthermore, the thermoelectric propertieshave been calculated using BoltzTrap code, the obtained results show that the studied compound (RbSeBr3) has a metallic character and can be used as an absorber in UV-interval; on the other hand the thermoelectric power reveals a high value.
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