First-principles optimization of thermoelectric and optoelectronic performance of KSn 1− x Zn x I 3 ( x = 0, 0.25, 0.5, 0.75, 1) perovskites for sustainable energy harvesting | Synapse
April 10, 2026Open Access
First-principles optimization of thermoelectric and optoelectronic performance of KSn 1− x Zn x I 3 ( x = 0, 0.25, 0.5, 0.75, 1) perovskites for sustainable energy harvesting
Key Points
The aim is to optimize the thermoelectric and optoelectronic properties of KSn1−xZnxI3 perovskites for sustainable energy applications.
Used first-principles calculations to analyze KSn1−xZnxI3 perovskites
Calculated thermoelectric figure of merit (ZT) at elevated temperatures
Achieved a high ZT of 1.01 for KSnI3
Achieved a high ZT of 1.27 for KZnI3
Abstract
First-principles investigation of non-toxic KSn 1− x Zn x I 3 ( x = 0, 0.25, 0.5, 0.75, 1) perovskites: achieving high thermoelectric ZT of 1.01 (KSnI 3 ) and 1.27 (KZnI 3 ) at elevated temperatures.