希土類元素導入ペロブスカイト系太陽電池の最適組成の理論的探索と導入効果の検証

稀土元素钙钛矿太阳能电池最佳组成的理论探索及引入效果验证

• 批准号: 21K05261
• 负责人: 鈴木 厚志
• 金额: $ 2.58万
• 依托单位: The University of Shiga Prefecture
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2021
• 资助国家: 日本
• 起止时间: 2021-04-01 至 2024-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-21K05261/
• 关键词: ペロブスカイト太陽電池; 光起電力特性; 希土類元素; 第一原理計算; 電子構造; 分子動力学; X線回折; 太陽電池; エネルギー変換材料; 無機デバイス関連材料; バンド構造

ハロゲン化鉛系ペロブスカイト太陽電池は、従来の太陽電池よりも優れた開放電圧、高い光電変換効率を有しているが、長期安定性に乏しく、実用化する上で光活性層であるペロブスカイト結晶の劣化抑制や界面の構造最適化や電子構造制御を行い、性能向上が求められている。本研究は、希土類元素の導入により長期安定性かつ高性能なペロブスカイト太陽電池の開発を行うことを目的とする。光活性層であるペロブスカイト結晶の電子構造解析から性能を予測し、光起電力特性、表面形態の観察や結晶構造解析から性能評価を行った。希土類元素 (Eu, Gd, Nd) やハロゲン化アンモニウム化合物の導入により光活性層の劣化を抑制しながら性能向上と長期安定化を行った。第一原理計算法により価電子帯、伝導帯付近のバンド構造から有効質量やバンドギャップEgを予測し、キャリア移動や開放電圧の改善を予想した。希土類元素のd軌道と配位子のp軌道の重なりから電荷移動の促進が予想され、Eu, Gd導入によりキャリア移動や電荷移動、短絡電流密度が改善し、変換効率が上昇することを予測した。分子動力学計算によりペロブスカイト結晶の熱力学的安定性や分子運動性を検討した。希土類元素 (Eu, Gd) 導入により安定性が向上し、有機カチオン脱離による分解を抑制することを予測した。Eu, Gdの酸化還元反応やシラン化合物およびフタロシアニン錯体の導入により光活性層の劣化を改善しながら性能向上と長期安定化を行った。希土類元素導入ペロブスカイト結晶の材料設計および性能予測により長期安定性かつ高性能なペロブスカイト太陽電池の開発が可能となった。

The environmental protection equipment is used to turn on the battery, to turn on the battery, to turn on the high-voltage optical battery, to have long-term stability, and to prevent the degradation of the photoactive property on the battery. The degradation of the interface makes the most cost-effective computer manufacturing industry, and the performance is improved. In this study, rare earth elements are involved in long-term stability, high-performance thermal stability, high-performance, high-performance, high-performance Photoactive mechanical properties, thermal analysis, optical analysis, surface morphology analysis, optical analysis, analysis and analysis. Rare earth elements (Eu, Gd, Nd) lead to the introduction of rare earth elements (rare earth elements, rare earth elements (rare earth elements, rare earth elements (Gd, rare earth elements, rare earth elements (rare earth elements, rare earth elements In the first principle, the algorithm is based on the cost of electronic equipment, guidance and guidance. There is an increase in the amount of electricity, the amount of electricity, the cost of Eg, the operation of mobile devices, and the improvement of electrical equipment. Rare earth elements such as geometries, electronic devices, heavy metal charge transfer promoters, Eu, Gd load transfer devices, short-circuit current density improvement devices, high-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, short-current current density improvement devices, short-circuit current density improvement devices, short-circuit current density improvement devices, short-circuit current density improvement devices, short-circuit current density improvement devices, high-voltage current density improvement devices, low-voltage current density improvement devices, high-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, high-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement devices, low-voltage current density improvement The molecular dynamics is used to calculate the stability of the molecular dynamics. Rare earth elements (Eu, Gd) have an upward effect on stability, and there is an opportunity to prevent the decomposition of rare earth elements. Eu, Gd acidify the chemical compound, lead to photoactive, deteriorate, improve the performance and long-term stability of the compound. Rare earth elements are used to analyze the properties of materials for long-term stability, long-term stability, high-performance, high-performance, low-temperature, low-temperature, high-performance, low-temperature, high-performance, high-performance, low-temperature, high-performance, high-performance, low-temperature, high-performance, low-temperature, high-performance, high-performance, low-temperature, high-performance, low-

项目成果

Effects of Cu, K and Guanidinium Addition to CH3NH3PbI3 Perovskite Solar Cells

• DOI: 10.1007/s11664-022-09688-3
• 发表时间: 2022-05
• 期刊: Journal of Electronic Materials
• 影响因子: 2.1
• 作者: Ayu Enomoto;A. Suzuki;T. Oku;Masanobu Okita;Sakiko Fukunishi;Tomoharu Tachikawa;T. Hasegawa

Fabrication and characterization of CH3NH3PbI3 perovskite solar cells using CuPcX4 doped with TCNQ

使用掺杂 TCNQ 的 CuPcX4 CH3NH3PbI3 钙钛矿太阳能电池的制备和表征

• 发表时间: 2022
• 作者: Atsushi Suzuki;Ryota Hasegawa;Kai Funayama;Takeo Oku;Masanobu Okita;Sakiko Fukunishi;Tomoharu Tachikawa;Tomoya Hasegawa
• 通讯作者: Tomoya Hasegawa

Fabrication and characterization of perovskite solar cells using copper phthalocyanine complex with tetracyanoquinodimethane

使用铜酞菁与四氰基醌二甲烷配合物制备钙钛矿太阳能电池并表征

• 发表时间: 2022
• 作者: Atsushi Suzuki;Ryota Hasegawa;Takeo Oku;Masanobu Okita;Sakiko Fukunishi;Tomoharu Tachikawa;and Tomoya Hasegawa
• 通讯作者: and Tomoya Hasegawa

Electronic structures and molecular dynamics of lanthanide-doped perovskite crystal and photovoltaic characteristics

稀土掺杂钙钛矿晶体的电子结构、分子动力学及光伏特性

• 发表时间: 2023
• 作者: Atsushi Suzuki;Kyo Kishimoto;Takeo Oku;Sakiko Fukunishi;Tomoharu Tachikawa and Tomoya Hasegawa
• 通讯作者: Tomoharu Tachikawa and Tomoya Hasegawa

Additive effect of CuPcX4-TCNQ on CH3NH3PbI3 perovskite solar cells

CuPcX4-TCNQ对CH3NH3PbI3钙钛矿太阳能电池的加和效应

• 发表时间: 2022
• 作者: Atsushi Suzuki;Ryota Hasegawa;Kai Funayama;Takeo Oku;Masanobu Okita;Sakiko Fukunishi;Tomoharu Tachikawa,and Tomoya Hasegawa
• 通讯作者: Tomoharu Tachikawa,and Tomoya Hasegawa