Effects of negative hydroxyl ions at the SnO2/perovskite layer interface on the performance of perovskite solar cells

IF 2.2 4区工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC

Journal of Computational Electronics Pub Date : 2024-09-02 DOI:10.1007/s10825-024-02212-2

Mehdi Banihashemi, Alireza Kashani Nia

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Abstract

In this work we studied the effects of negative hydroxyl ions at the SnO₂/perovskite layer interface with respect to the performance of perovskite solar cells (PSCs). We considered a layer of 1 nm thickness, containing fixed negative ions, at the SnO₂/perovskite layer interface. The density of the ions was set to 7 × 10¹⁹ cm⁻³ in our simulations. To maintain charge neutrality in the SnO2 electron transport layer (ETL), we calculated the number of negative ions in the 1-nm-thick layer and added the same number of positive ions to the remaining part of the ETL. According to our simulation results, the negative ions increased the internal potential drop, reducing the open-circuit voltage of the perovskite solar cell from 0.99 to 0.88 V. On the other hand, the negative non-mobile hydroxyl ions at the interface absorbed some of the mobile positive ions of the perovskite layer, which increased the hysteresis index from 0.177% to 0.707%.

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二氧化锡/过氧化物层界面上的负羟基离子对过氧化物太阳能电池性能的影响

在这项工作中，我们研究了二氧化锡/过氧化物层界面上的羟基负离子对过氧化物太阳能电池（PSC）性能的影响。我们考虑在二氧化锡/过氧化物层界面上形成一层厚度为 1 nm、含有固定负离子的层。在我们的模拟中，离子密度设定为 7 × 1019 cm-3。为了保持二氧化锡电子传输层（ETL）中的电荷中性，我们计算了 1 nm 厚的层中负离子的数量，并在 ETL 的剩余部分添加了相同数量的正离子。根据我们的模拟结果，负离子增加了内部电位降，使包晶石太阳能电池的开路电压从 0.99 V 降至 0.88 V。另一方面，界面上不流动的羟基负离子吸收了包晶石层的部分流动正离子，使滞后指数从 0.177% 增加到 0.707%。

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来源期刊

Journal of Computational Electronics ENGINEERING, ELECTRICAL & ELECTRONIC-PHYSICS, APPLIED

CiteScore

4.50

自引率

4.80%

发文量

142

审稿时长

>12 weeks

期刊介绍： he Journal of Computational Electronics brings together research on all aspects of modeling and simulation of modern electronics. This includes optical, electronic, mechanical, and quantum mechanical aspects, as well as research on the underlying mathematical algorithms and computational details. The related areas of energy conversion/storage and of molecular and biological systems, in which the thrust is on the charge transport, electronic, mechanical, and optical properties, are also covered. In particular, we encourage manuscripts dealing with device simulation; with optical and optoelectronic systems and photonics; with energy storage (e.g. batteries, fuel cells) and harvesting (e.g. photovoltaic), with simulation of circuits, VLSI layout, logic and architecture (based on, for example, CMOS devices, quantum-cellular automata, QBITs, or single-electron transistors); with electromagnetic simulations (such as microwave electronics and components); or with molecular and biological systems. However, in all these cases, the submitted manuscripts should explicitly address the electronic properties of the relevant systems, materials, or devices and/or present novel contributions to the physical models, computational strategies, or numerical algorithms.