Structural and thermoelectric properties of CH3NH3SnI3 perovskites processed by applying high pressure with shear strain
Structural and thermoelectric properties of CH3NH3SnI3 perovskites processed by applying high pressure with shear strain
复制标题
DOI：
10.1080/21663831.2022.2057821
复制
发表时间：
2022-04
影响因子：
8.3
通讯作者：
Qing Wang;Yongpeng Tang;Z. Horita;S. Iikubo
中科院分区：
文献类型：
--
作者：
Qing Wang;Yongpeng Tang;Z. Horita;S. Iikubo
CH3NH3SnI3钙钛矿是一种环境友好的热电材料，可通过印刷技术制备，但其应用受到热电效率和结构稳定性不理想的限制。在这项工作中，CH3NH3SnI3钙钛矿是第一次通过施加高压与剪切应变处理，导致更好的结构稳定性，提高导电性和塞贝克系数与CH3NH3SnI3管结构处理后。第一性原理计算验证了晶格常数、电子能带结构、电导率和Seebeck系数的合理变化。本研究表明，一个潜在的战略，以改善结构和热电性能的CH3NH3SnI3，并揭示了可能的机制。图表摘要影响声明更好的结构稳定性和略有改善的热电性能，实现了在CH 3NH 3SnI 3样品的高压与剪切应变处理。DFT计算揭示了可能的机制。
CH3NH3SnI3 perovskites, which can be created using printing technology, are environmentally friendly thermoelectric materials, but their applications are limited by unsatisfactory thermoelectric efficiency and structural stability. In this work, CH3NH3SnI3 perovskites are processed by applying high pressure with shear strain for the first time, resulting in better structural stability, enhanced electrical conductivity and the Seebeck coefficient with CH3NH3SnI3 tube structures after processing. First-principles calculations verified the reasonable changes in lattice constants, electronic band structures, electrical conductivity and the Seebeck coefficient. The present study demonstrates a potential strategy to improve the structural and thermoelectric properties of CH3NH3SnI3 and uncovers the possible mechanism. GRAPHICAL ABSTRACT IMPACT STATEMENT Better structural stability and slightly improved thermoelectric properties are achieved in the CH3NH3SnI3 samples processed by high pressure with shear strain. DFT calculations disclose the possible mechanism.