基于 MAGeI3 的过氧化物太阳能电池的带偏移优化

IF 4.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications Pub Date : 2024-11-05 DOI:10.1016/j.inoche.2024.113473

K. Deepthi Jayan , Sagar Bhattarai

{"title":"基于 MAGeI3 的过氧化物太阳能电池的带偏移优化","authors":"K. Deepthi Jayan , Sagar Bhattarai","doi":"10.1016/j.inoche.2024.113473","DOIUrl":null,"url":null,"abstract":"<div><div>The study focuses on a complete modelling of perovskite solar cell (PSC) employing methyl ammonium germanium iodide (MAGeI<sub>3</sub>) as light absorbing material via optimizing device’s conduction band offset (CBO) and valence band offset (VBO), which helps in identifying the suitable transport materials that can be employed for extracting the best photovoltaic parameters for solar cell. The device architecture FTO/TiO<sub>2</sub>/MAGeI<sub>3</sub>/CuO/Pd has been considered for the study, which after the input parameter optimization provides a power conversion efficiency (PCE) of 12.33 %. An optimization of the CBO of the device configuration results in a PCE of 13.57 %, indicating that the chosen ETL, TiO<sub>2</sub> is suitable for the device configuration. An alternate ETL, IGZO with the required electron affinity of 4.18 eV, when tested for the device shows a PCE of 12.39 %. The VBO optimization of the device configuration FTO/TiO<sub>2</sub>/MAGeI<sub>3</sub>/CuO/Pd suggests the inclusion of CZTS as the HTL and further input parameter optimization of the device provides PCE of 16.59 %. The VBO optimization of FTO/IGZO/MAGeI<sub>3</sub>/CuO/Pd suggests for the inclusion of CZTS as the HTL, and provides an excellent PCE of 14.57 %. Hence, the CBO and VBO optimized device configuration, FTO/IGZO/MAGeI<sub>3</sub>/CZTS/Pd is again optimized by changing the parameters of perovskite and transport layers and a PCE of 20.54 % is achieved. It is further analysed considering diverse back contact metal and optimum PCE of 20.57 % is attained, with Se as the back metal contact. An estimation of the QE of FTO/IGZO/MAGeI<sub>3</sub>/CZTS/Se configuration indicates efficient charge generation and collection in visible and NIR wavelength regimes.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"170 ","pages":"Article 113473"},"PeriodicalIF":4.4000,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Band offset optimization in MAGeI3 based perovskite solar cells\",\"authors\":\"K. Deepthi Jayan , Sagar Bhattarai\",\"doi\":\"10.1016/j.inoche.2024.113473\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The study focuses on a complete modelling of perovskite solar cell (PSC) employing methyl ammonium germanium iodide (MAGeI<sub>3</sub>) as light absorbing material via optimizing device’s conduction band offset (CBO) and valence band offset (VBO), which helps in identifying the suitable transport materials that can be employed for extracting the best photovoltaic parameters for solar cell. The device architecture FTO/TiO<sub>2</sub>/MAGeI<sub>3</sub>/CuO/Pd has been considered for the study, which after the input parameter optimization provides a power conversion efficiency (PCE) of 12.33 %. An optimization of the CBO of the device configuration results in a PCE of 13.57 %, indicating that the chosen ETL, TiO<sub>2</sub> is suitable for the device configuration. An alternate ETL, IGZO with the required electron affinity of 4.18 eV, when tested for the device shows a PCE of 12.39 %. The VBO optimization of the device configuration FTO/TiO<sub>2</sub>/MAGeI<sub>3</sub>/CuO/Pd suggests the inclusion of CZTS as the HTL and further input parameter optimization of the device provides PCE of 16.59 %. The VBO optimization of FTO/IGZO/MAGeI<sub>3</sub>/CuO/Pd suggests for the inclusion of CZTS as the HTL, and provides an excellent PCE of 14.57 %. Hence, the CBO and VBO optimized device configuration, FTO/IGZO/MAGeI<sub>3</sub>/CZTS/Pd is again optimized by changing the parameters of perovskite and transport layers and a PCE of 20.54 % is achieved. It is further analysed considering diverse back contact metal and optimum PCE of 20.57 % is attained, with Se as the back metal contact. An estimation of the QE of FTO/IGZO/MAGeI<sub>3</sub>/CZTS/Se configuration indicates efficient charge generation and collection in visible and NIR wavelength regimes.</div></div>\",\"PeriodicalId\":13609,\"journal\":{\"name\":\"Inorganic Chemistry Communications\",\"volume\":\"170 \",\"pages\":\"Article 113473\"},\"PeriodicalIF\":4.4000,\"publicationDate\":\"2024-11-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganic Chemistry Communications\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1387700324014631\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry Communications","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1387700324014631","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}

引用次数: 0

摘要

研究重点是通过优化器件的导带偏移（CBO）和价带偏移（VBO），对采用甲基碘化锗铵（MAGeI3）作为光吸收材料的过氧化物太阳能电池（PSC）进行完整建模，这有助于确定可用于提取太阳能电池最佳光电参数的合适传输材料。研究考虑了 FTO/TiO2/MAGeI3/CuO/Pd 器件结构，在输入参数优化后，功率转换效率（PCE）达到 12.33%。对设备配置的 CBO 进行优化后，PCE 达到 13.57%，表明所选的 ETL（二氧化钛）适合设备配置。另一种 ETL IGZO 所需的电子亲和力为 4.18 eV，对该器件进行测试后，PCE 为 12.39%。对 FTO/TiO2/MAGeI3/CuO/Pd 器件配置的 VBO 优化表明，将 CZTS 作为 HTL 并进一步优化器件的输入参数，可使 PCE 达到 16.59%。FTO/IGZO/MAGeI3/CuO/Pd 的 VBO 优化建议将 CZTS 作为 HTL，并提供了 14.57 % 的出色 PCE。因此，通过改变过氧化物和传输层的参数，再次优化了 CBO 和 VBO 优化器件配置，即 FTO/IGZO/MAGeI3/CZTS/Pd，实现了 20.54 % 的 PCE。考虑到不同的背接触金属，对其进行了进一步分析，以 Se 作为背接触金属，实现了 20.57 % 的最佳 PCE。对 FTO/IGZO/MAGeI3/CZTS/Se 配置的 QE 的估计表明，在可见光和近红外波段，电荷生成和收集效率很高。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Band offset optimization in MAGeI3 based perovskite solar cells

查看原文本刊更多论文

Band offset optimization in MAGeI3 based perovskite solar cells

The study focuses on a complete modelling of perovskite solar cell (PSC) employing methyl ammonium germanium iodide (MAGeI₃) as light absorbing material via optimizing device’s conduction band offset (CBO) and valence band offset (VBO), which helps in identifying the suitable transport materials that can be employed for extracting the best photovoltaic parameters for solar cell. The device architecture FTO/TiO₂/MAGeI₃/CuO/Pd has been considered for the study, which after the input parameter optimization provides a power conversion efficiency (PCE) of 12.33 %. An optimization of the CBO of the device configuration results in a PCE of 13.57 %, indicating that the chosen ETL, TiO₂ is suitable for the device configuration. An alternate ETL, IGZO with the required electron affinity of 4.18 eV, when tested for the device shows a PCE of 12.39 %. The VBO optimization of the device configuration FTO/TiO₂/MAGeI₃/CuO/Pd suggests the inclusion of CZTS as the HTL and further input parameter optimization of the device provides PCE of 16.59 %. The VBO optimization of FTO/IGZO/MAGeI₃/CuO/Pd suggests for the inclusion of CZTS as the HTL, and provides an excellent PCE of 14.57 %. Hence, the CBO and VBO optimized device configuration, FTO/IGZO/MAGeI₃/CZTS/Pd is again optimized by changing the parameters of perovskite and transport layers and a PCE of 20.54 % is achieved. It is further analysed considering diverse back contact metal and optimum PCE of 20.57 % is attained, with Se as the back metal contact. An estimation of the QE of FTO/IGZO/MAGeI₃/CZTS/Se configuration indicates efficient charge generation and collection in visible and NIR wavelength regimes.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Inorganic Chemistry Communications 化学-无机化学与核化学

CiteScore

5.50

自引率

7.90%

发文量

1013

审稿时长

53 days

期刊介绍： Launched in January 1998, Inorganic Chemistry Communications is an international journal dedicated to the rapid publication of short communications in the major areas of inorganic, organometallic and supramolecular chemistry. Topics include synthetic and reaction chemistry, kinetics and mechanisms of reactions, bioinorganic chemistry, photochemistry and the use of metal and organometallic compounds in stoichiometric and catalytic synthesis or organic compounds.