Modeling Monte Carlo simulation on photon regeneration effects of perovskite FAPbI3 for photovoltaic applications†

IF 3 3区化学 Q3 CHEMISTRY, PHYSICAL

Physical Chemistry Chemical Physics Pub Date : 2023-01-20 DOI:10.1039/D2CP04953H

Hengbin Xu and Xiangfu Wang

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引用次数: 0

Abstract

Controlling the photon regeneration effects in FAPbI₃ films is a noteworthy approach to improve the photovoltaic (PV) efficiency of FAPbI₃-based solar cells. However, the lack of systematic study on the relationship between photon regeneration effects and PV efficiency in the experimental process makes it difficult to control the photon regeneration effects effectively. In this work, we combine the Monte Carlo sampling method and the polar coordinate calculation method to design a new algorithm for a detailed simulation of the main processes of photon regeneration effects affecting the PV efficiency in a model based on an n–i–p type FAPbI₃ perovskite solar cell (PSC). The algorithm is validated to be used to compare the power-conversion efficiency (PCE) of different PSCs to filter out the PSC structure with the highest PCE or to determine the range of material parameter values corresponding to the highest PCE. This work opens up new ideas to effectively control the photon regeneration effects in PSCs to improve the device PV efficiency.

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光电应用中钙钛矿FAPbI3光子再生效应的建模蒙特卡罗模拟

控制FAPbI3薄膜中的光子再生效应是提高FAPbI3基太阳能电池光伏效率的重要途径。然而，由于实验过程中缺乏对光子再生效应与光伏效率之间关系的系统研究，使得光子再生效应难以有效控制。本文将蒙特卡罗采样方法与极坐标计算方法相结合，设计了一种新的算法，详细模拟了基于n-i-p型FAPbI3钙钛矿太阳能电池(PSC)模型中光子再生效应影响PV效率的主要过程。验证了该算法可用于比较不同PSCs的功率转换效率(PCE)，从而筛选出PCE最高的PSC结构或确定最高PCE对应的材料参数值范围，为有效控制PSCs中的光子再生效应，提高器件PV效率开辟了新的思路。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physical Chemistry Chemical Physics 化学-物理：原子、分子和化学物理

CiteScore

5.50

自引率

9.10%

发文量

2675

审稿时长

2.0 months

期刊介绍： Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.