Mechanical properties of Sb2Te3 nanostructures under tensile loading

Abstract Thermoelectric research has become a prominent topic in recent years due to the mounting interest in providing alternative energy and reducing environmental pollution. The engineering applications of thermoelectric devices require high efficiency and mechanical robustness to ensure their reliability and stability. In this study, we investigated the material strength and failure mechanisms of Sb 2 Te 3 nanofilms using molecular dynamics simulations. We designed a series of Sb 2 Te 3 nanofilms to explore the effects of temperature, hole defects, and substrate on the mechanical properties of thermoelectric materials under tensile loading. Our findings provide valuable information for designing highly reliable and stable thermoelectric devices.