Structural and thermoelectric properties of CH3NH3SnI3 perovskites processed by applying high pressure with shear strain

Abstract

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.

Keywords

• Perovskite
• high-pressure torsion
• tube structure
• thermoelectric property
• DFT calculations