通过应变消除金属化物矿中的电荷重组中心
Lu Qiao1, Wei-Hai Fang1, Run Long1
1College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing 100875, People's Republic of China.
Journal of the American Chemical Society
|June 22, 2021
概括
对金属化物矿施加机械应力可以消除电荷重组缺陷. 这种应变工程策略提高了载体寿命,并通过被动化间缺陷和甲基缺陷来提高太阳能电池的性能.
科学领域:
- 材料科学
- 固态物理
- 太阳能发电
背景情况:
- 金属化物矿显示出有前途的光电子特性.
- 矿中的缺陷状态通常会限制设备的性能和载体寿命.
- 经过实验观察,机械应变可以增强矿的性能.
研究的目的:
- 研究金属化物矿中机械应变影响缺陷状态的原子化机制.
- 阐明应变如何影响电荷载体动力学和重组途径.
- 提供应变工程作为缺陷被动化策略的理论基础.
主要方法:
- 开始时使用了非adiabatic分子动力学模拟.
- 计算的重点是压力和拉力应变对矿电子结构和缺陷状态的影响.
- 对轨道合,带边位置和缺陷状态能量进行了分析.
主要成果:
- 压缩应变将间位 (II) 陷状态转移到价值带,破坏I-二次元.
- 拉伸应变通过改变Pb-Pb距离将甲基 (MAI) 陷状态转移到导电带.
- 压力应用消除了中隙陷,减少了电子孔波函数重叠,并提高了原始材料之外的载体寿命.
结论:
- 机械应变是一种有效的非化学策略,用于抑制甲基化 (MAPbI3) 的关键缺陷 (II和MAI).
- 压力工程合理化了矿太阳能电池在机械应力下的增强性能.
- 这项工作为矿材料的缺陷控制和性能优化提供了新的途径.
更多相关视频
08:12Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films
Published on: September 8, 2017
9.8K
11:38Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance
Published on: February 27, 2017
18.7K
相关概念视频
01:22Carrier Generation and Recombination
908
Carrier generation is the process by which electron-hole pairs (EHPs) are created within the semiconductor. In direct-bandgap semiconductors, such as gallium arsenide (GaAs), this occurs efficiently when energy absorption prompts valence electrons to leap into the conduction band, leaving behind holes.
This process is given by the generation rate G and is efficient due to the conservation of momentum between the valence band maximum and conduction band minimum.
Indirect generation involves an...
This process is given by the generation rate G and is efficient due to the conservation of momentum between the valence band maximum and conduction band minimum.
Indirect generation involves an...
908
01:11P-N junction
788
A p-n junction is formed when p-type and n-type semiconductor materials are joined together. At the interface of the p-n junction, holes from the p-side and electrons from the n-side begin to diffuse into the opposite sides due to the concentration gradient. This diffusion of carriers leads to a region around the junction where there are no free charge carriers, known as the depletion region. The charge density within the depletion region for the n-side and p-side can be described by the...
788