In order to meet the increasing need for proficient photovoltaic materials, the electronic,
structural, optical, and photovoltaic performance of ZrX 2 (X= Cl, Br, I) and ZrIX (X= Cl, Br) …

With the rapid development of materials applications, the limitation of a single layer material
has become more apparent and its intrinsic properties can no longer satisfy the growing …

Due to the symmetry breaking, Janus two-dimensional materials possess novel electronic
properties such as energy valley and spin polarization. In this research, we predicted the …

Magnetism engineering in two-dimensional (2D) materials has been widely explored to
make new spintronic materials. In this work, the do** (with alkali metals at Sr sublattice …

In this work, the structural, electrical, and optical properties of alkaline earth halide
monolayers with MX 2 (M= alkaline earth metals; X= halogens) monolayers are studied. The …

Using first-principles calculations in the framework of density functional theory (DFT), we
systematically carry out the dynamic stability, electronic and optical properties of the Janus …

Thermoelectricity offers an efficient means of converting heat directly into electricity without
greenhouse gas emissions. Recently, the hexagonal γ-GeSe phase and a new class of …

Using first-principles calculations based on density functional theory (DFT), the structural,
optoelectronic, and transport properties of the MgICl Janus monolayer have been …