The discovery of 2D layered MoSi2N4 and WSi2N4 without knowing their 3D parents by
chemical vapor deposition in 2020 has stimulated extensive studies of 2D MA2Z4 system …

Recent experimental synthesis of ambient-stable MoSi 2 N 4 monolayer has garnered
enormous research interest. The intercalation morphology of MoSi 2 N 4—composed of a …

Recently synthesized MoSi2N4 is the first septuple-layer two-dimensional material, which
does not naturally occur as a layered crystal, and has been obtained with chemical vapour …

Van der Waals (vdWs) heterostructures enable bandgap engineering of different 2D
materials to realize the interlayer transition via type‐II band alignment leading to broaden …

Hunting for high-performance photocatalysts to achieve efficient solar conversion is still far
from ideal goals. Here, a kind of Janus structure, ASSiN2 (A= Cr, Mo, W) monolayers, is first …

We present a novel target-driven methodology devised to predict the Heyd–Scuseria–
Ernzerhof (HSE) band gap of two-dimensional (2D) materials leveraging the comprehensive …

Abstract 2D materials van der Waals heterostructures (vdWHs) provide a revolutionary route
toward high‐performance solar energy conversion devices beyond the conventional silicon …

Following the successful synthesis of single-layer metallic Janus MoSH and semiconducting
MoSi2N4, we investigate the electronic and interfacial features of metal/semiconductor …

Abstract Two-dimensional (2D) layered materials can stack into new material systems, with
van der Waals (vdW) interaction between the adjacent constituent layers. This stacking …

Vertical stacking of two semiconducting monolayers is an effective way to improve the
optoelectronic performance of individual monolayers. Employing first-principles calculations …