Thanks to its adjustable interlayer distance, large specific surface area, abundant active
sites, and diverse surface functional groups, MXene has always been regarded as an …

Layered MAX phases are exfoliated into 2D single layers and multilayers, so‐called
MXenes. Using first‐principles calculations, the formation and electronic properties of …

A newly synthesized family of two-dimensional transition metal carbides and nitrides, so-
called MXenes, exhibit metallic or semiconducting properties upon appropriate surface …

The substitutional series of Heusler compounds NiTi 1− x M x Sn (where M= Sc, V and 0<
x≤ 0.2) were synthesized and investigated with respect to their electronic structure and …

In this paper, van der Waals heterostructures consisting of MX 2 (M= Zr, Hf and X= S, Se)
monolayers are modeled. The favorable stacking and stability of the modeled monolayer …

Ab-initio calculations were performed to reveal and thoroughly understand the structural,
electronic, elastic, thermodynamic and vibrational properties of HfIrX (X= As, Sb and Bi) …

In order to develop a useful material for the optoelectronic sector with a variety of uses in
thermoelectric and optical properties at a reasonable price, we researched SnTiO3, a Pb …

We investigate the spin–orbit coupling (SOC) effects on the electronic structures and semi-
classic transport coefficients of half-Heusler ANiB (A= Ti, Hf, Sc, Y; Bdouble bondSn, Sb, Bi) …

Half-Heusler compound is a promising thermoelectric material due to its excellent
conversion performance. In this study, we investigate the electronic structure, and …

Motivated by the recent findings of potential topological insulators and good high-
temperature thermoelectric materials in the half-Heusler compounds based on heavy …