Anharmonic lattice vibrations play pivotal roles in the thermal dynamics in condense matters
and affect how the atoms interact and conduct heat. An in-depth understanding of the …

In low dimensional materials, the conversion of thermal to electrical energy via
thermoelectric devices gained much more attention when a ZT> 5 was reported in …

Lead telluride is a well-established material for direct conversion of heat into electricity.
However, the aspects of the heat transport phenomena for PbTe-alloys remain not fully …

Achieving high thermoelectric performance requires efficient manipulation of thermal
conductivity and a fundamental understanding of the microscopic mechanisms of phonon …

Rattling has emerged as one of the most significant phenomenon for notably reducing the
thermal conductivity in complex crystal systems. In this work, using first-principles density …

Materials with low thermal conductivity are essential for thermoelectric energy conversion
and thermal management applications. Lone-pair electrons (LPEs), a pair of nonbonded …

There exist an exponentially large number of oxide materials with equally large number of
crystal structures for applications in innumerable fields due to their low toxicity, affordable …

Modulation doping is a well-known approach for improving the efficiency of bulk
thermoelectrics, yet its application to 2D materials has remained elusive. Our thorough first …

Electron microscopy studies on stannous oxide (α-SnO), a metastable two-dimensional
layered material, have revealed exciting aspects of the structure and phase stability in the tin …

The two-dimensional orthorhombic phase of SiS exhibits low particle-like thermal
conductivity (the propagation term) along both in-plane directions. This unique behavior is …