对于MASnI3Sn基化物矿的相位依赖载体运输机制的第一原则研究3Sn基化物矿
Mingming Li1,2, Jiajia Fei2, Xiaojiao Zhang1
1School of Microelectronics and Physics, Hunan University of Technology and Business, Changsha 410205, People's Republic of China.
概括
我们研究了甲基锡三化物 (MASnI3) 矿,发现结构变化显著影响电子流动性. 极光声子散射是限制载体传输的主要因素,特别是在更高的温度下.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 太阳能光伏发电是如何实现的
背景情况:
- 有机-无机混合矿对下一代太阳能电池具有前景.
- 这些材料表现出温度依赖的相变,影响其电子性能.
- 无机框架决定了带边界特征和载波运输.
研究的目的:
- 为了研究基于Sn的甲基锡三化物 (MASnI3) 矿中的载体运输.
- 了解结构相变对电子移动性的影响.
- 为了确定影响载体运输的占主导地位的分散机制.
主要方法:
- 计算载体运输,考虑声学变形潜力,电离杂质和极光波散射.
- 分析了电子流动性与Sn-I-Sn键角之间的相关性.
- 利用预测的晶体轨道汉密尔顿人群分析来研究八面体扭曲.
- 计算了MASnI3.3不同阶段的温度依赖的载体流动性.
主要成果:
- 在MASnI3中,电子的移动性与Sn-I-Sn结合角度密切相关,显示在平面内/平面外的异构性.
- [SnI6]4-八面体的倾斜和旋转会影响Snp-Ip轨道合和电子传输.
- 对于所有阶段来说,载体的移动性在更高的温度下降.
- 极光声子散射被确定为主要的散射机制.
结论:
- 在MASnI3中的结构动态显著影响其电子特性和载体移动性.
- 八面体扭曲在确定带边界特征和电荷传输方面发挥着至关重要的作用.
- 了解散射机制是优化矿太阳能电池性能的关键.
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