MXenes, generally referring to two-dimensional (2D) transition-metal carbides, nitrides, and
carbonitrides, have received tremendous attention since the first report in 2011. Extensive …

MXenes have recently emerged as a revolutionary class of material displaying exceptional
tailored-made properties. The onward journey and remarkable rise are establishing MXene …

We present an open-source program irvsp, to compute irreducible representations of
electronic states for all 230 space groups with an interface to the Vienna ab-initio Simulation …

Semiconductor electronics is commonplace in every household. Semiconductor devices
have enabled economically reasonable fiber-based optical communication, optical storage …

Band engineering has been under development as an efficient method to improve
thermoelectric performance. However, except conventional methods like engineering the …

A family of two-dimensional transition metal carbides and nitrides had been developed
expeditiously and called “MXenes”. MXenes possess planar nanostructure and excellent …

Abstract Recently, Mo 2 TiC 2, an ordered two transition metals MXene has been
synthesized, which offers a great opportunity to explore the effect of transition metal in …

As a promising avenue to obtain a new extreme ultraviolet light source and detect electronic
properties, high-harmonic generation (HHG) has been actively developed in both theory and …

MXene is a newly discovered 2D carbon-based material that is predominantly conductive.
The most common MXene, titanium carbide (Ti 3 C 2), can be used as a conductive material …

Using the first-principles calculations, we present a prediction of the nontrivial topological
phase in one-dimensional (1D) Ta 4 SiTe 4 with high stability further verified by the …