Origins of ultra-low thermal transport in giant anharmonic SnSe and their applications in thermoelectric materials engineering
Dr Chen, Yue (Principal investigator)
First principle calculation, Density functional theory, Ab initio calculation, Thermoelectric compounds
RGC Early Career Scheme (ECS)
HKU Project Code
Early Career Scheme (ECS)
1) To understand the anomalously low thermal conductivity of single crystal SnSe and resolve current discrepancy between theory and experiment via the development of slave-mode expansions, which will be equally applicable to other orthorhombic IV-VI thermoelectric compounds, facilitating future studies on their thermal transports; 2) To unveil the origins of alloying effects on the transport properties of SnSe through thorough theoretical and experimental investigations, which will pave the way for alloying engineering of distorted rock-salt IV-VI thermoelectric compounds.