The rapid development of synthesis and fabrication techniques has opened up a research
upsurge in two-dimensional (2D) material heterostructures, which have received extensive …

Motivated by the synthesized Cu 4 Ti Se 4 with ultralow room-temperature thermal
conductivity [Angew. Chem., Int. Ed. 60, 9106 (2021)], we systematically investigate its …

Topological phononics, a fascinating frontier in condensed matter physics, holds great
promise for advancing energy‐related applications. Topologically nontrivial phonons …

We propose an ab initio Boltzmann transport approach taking into account magnon-phonon
scattering (MPS) and three-phonon scattering simultaneously to accurately evaluate the …

Phonon local resonance mechanism can effectively block phonon transport and thus reduce
phonon thermal conductance. Inspired by this, we investigated the thermoelectric …

Intrinsic thermoelectric properties in biphenylene nanoribbons (BNRs) and effect of lattice
defects are investigated by employing the nonequilibrium Green's function. A comparative …

Recently, the 1T-SnSSe monolayer has attracted increasing attention in the thermoelectric
community on account of its low-cost and environmental friendliness. In this paper, the …

The phonon-drag effect is useful for improving the thermoelectric performance, especially
the Seebeck coefficient. Therefore, the phonon and electron transport properties of Si single …

We present an atomistic simulation of thermoelectric properties in cove-edged graphene
nanoribbons (CGNRs) via the nonequilibrium Greenes function. Different from gapless …

The layered solid electrolyte Li 2 ZrCl 6 and Li metal electrodes have a very good contact
stability, but the thermal transport properties of Li 2 ZrCl 6 are still unclear. Here, we …