ABSTRACT A thorough understanding of the microscopic picture of heat conduction in
solids is critical to a broad range of applications, from thermal management of …

The highly thermally conductive yet electrically insulating polymeric materials are exhibiting
tremendous potential for thermal management materials. However, the practical application …

Plasmon resonance represents the collective oscillation of free electron gas density and
enables enhanced light-matter interactions in nanoscale dimensions. Traditionally, the …

Monolayer molybdenum trioxide (MoO3) is an emerging two-dimensional (2D) material with
high electrical conductivity but unexplored thermal conductivity. Using first-principles …

Transition-metal dichalcogenides (TMDs) have great potential in the field of thermoelectric
conversion due to their remarkable transport properties. However, the large lattice thermal …

Hafnium diboride (HfB2) is an important metallic ceramic that works in harsh environments,
due to its high strength and thermal conductivity. Although the thermal conductivity of HfB2 …

Abstract 2D beryllium polynitrides or beryllonitrene is a newly synthesized layered material
displaying anisotropic Dirac cones and van Hove singularity (VHS) located only≈ 0.5 eV …

Wurtzite gallium nitride (GaN) has great potential for high-frequency and high-power
applications due to its excellent electrical and thermal transport properties. However …

Borophene allotropes have many unique physical properties due to their polymorphism and
similarity between boron and carbon. In this work, based on the density functional theory …

The mobility of carriers, as limited by their scattering with phonons, can now routinely be
obtained from first-principles electron-phonon coupling calculations. However, so far, most …