2D Janus Rashba semiconductors, which break both the mirror symmetry in the crystal
structure and the spin degeneracy in the energy band, provide a promising platform to …

Low-dimensional materials outperform their bulk equivalents in terms of thermal and
electronic charge transport phenomena. Ultralow thermal conductivity in thermoelectric (TE) …

Bilayer materials made of 2D monolayers are emerging as new systems creating diverse
opportunities for basic research and applications in optoelectronics, thermoelectrics, and …

Nowadays, double perovskites for renewable energy are emerging materials because of
their interesting properties such as simple and stable crystal structure. In our study, we …

Monolayer (ML) PtSe2 is a two-dimensional (2D) semiconductor with a modest band gap
and high carrier mobility, and it is a promising 2D material for electronic devices. Finding …

In our previous works [Liu et al.(2022)], the quaternary Heusler alloy CrLaCoAl had been
predicted to be half-metallic ferrimagnet with high Curie temperature, and it met the dynamic …

Thermoelectric materials facilitate the mutual conversion of thermal energy and electric
energy, representing environmentally friendly candidates for power generation …

In the present work electronic, structural and thermoelectric properties of newly designed
layered rare-earth metal germanide halides such as Y 2 GeX 2 (X= Cl, Br, I) are investigated …

Through density functional theory (DFT)‐based computations, a systematic exploration of
the newly predicted 2D phosphorene allotrope, namely holey‐phosphorene (HP), is carried …

Thermoelectric devices have substantial potential as an environmentally compatible and
sustainable power source to produce electricity straight out of waste heat. In this article, the …