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

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. 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.

Automated summary

In this study, CH3NH3SnI3 perovskites were processed using high pressure with shear strain for the first time, resulting in improved structural stability and slightly enhanced thermoelectric properties. First-principles calculations confirmed the validity of these changes. This study uncovers a potential strategy to improve the structural and thermoelectric properties of CH3NH3SnI3.