In recent years, 2D layered materials have emerged as potential candidates in the opto-
electronic field due to their intriguing optical, electrical and mechanical properties …

Owing to highly peculiar properties such as tunable electronic band gaps and coexistence of
Rashba, excitonic and piezoelectric effects, low-dimensional Janus transition metal …

The adsorption behaviors of CO, NH 3, NO, and NO 2 on intrinsic and defective MoSi 2 N 4
monolayer, and the electronic properties, magnetic and gas sensing properties are …

Previous investigations [HL Zhuang and RG Hennig, J. Phys. Chem. C, 2013, 117, 20440–
20445; J. Kang, S. Tongay, J. Zhou, J. Li and J. Wu, Appl. Phys. Lett., 2013, 102, 012111] …

The electronic, magnetic, and optical absorption properties of partial metal adsorbed WS 2
systems were calculated by using the first-principles approach. The optimal adsorption sites …

This paper employs first-principles methods to compute the stability, electrical properties,
and optical properties of the GaN/Sc 2 CF 2 heterostructure and investigates its photoelectric …

Based on first-principles calculations, we systematically investigate the electronic and
optical properties of van der Waals (vdW) heterostructures composed of graphene-like …

The structural, electronic, and optical properties of heterostructures formed by transition
metal dichalcogenides MX2 (M= Mo, W; X= S, Se) and graphene-like zinc oxide (ZnO) were …

Van der Waals (vdW) heterostructure can improve the performance of the 2D materials and
provide more applications. Based on density functional theory (DFT) calculations, the …

The formation of the graphene-based van der Waals (vdW) heterostructures has shown
great potential for designing novel electronic and optoelectronic nanodevices. Here, we …