Two-dimensional (2D) materials have emerged as a broad platform for exploring promising
thermoelectric materials. Motivated by the fabrication of diverse artificially designed Te …

Herein, we report a first-principle density functional theory-based study on CdTe
nanostructures in 1D (nanorods and nanotubes) and 2D (ultra-thin slabs, monolayers) …

While cadmium telluride (CdTe) thin films are being used in solar cell prototyping for
decades, the recent advent of two-dimensional (2D) materials challenges the fundamental …

Cadmium telluride (CdTe) has prime importance in photovoltaics due to its direct band gap
of 1.45 eV. However, its two-dimensional counterparts have not been fully explored due to …

Inspired by recent studies on MoS2 and MoSi2N4, we propose and investigate Janus
MoBXY2 (X= N, P; Y= S, Se, Te) monolayers, which exhibit robust dynamic and thermal …

Element doping is a universal way to improve the electronic and optical properties of two-
dimensional (2D) materials. Here, we investigate the influence of group− ⅣA element (C, Si …

Ultrathin solid slabs often have properties different from those of the bulk phase. This effect
can be observed both in traditional three-dimensional materials and in van der Waals (vdW) …

Decreasing the thickness of semiconductors to the few monolayer limit often results in
structural relaxation and the appearance of new properties. Herein, the bistability of 2ML …

Valleytronics has emerged as an interesting field of research in two-dimensional (2D)
systems and uses the valley index or valley pseudospin to encode information. Spin–orbit …

Modulation of the electronic and optical properties of two-dimensional (2D) materials is of
great significance for their practical applications. Here, by using first-principles calculations …