As layered materials, transition metal dichalcogenides (TMDCs) are promising two-
dimensional (2D) materials. Interestingly, the characteristics of these materials are …

WSe 2 monolayers have the great adsorption ability to some gases, especially for industrial
waste gases. Density functional theory (DFT) has been used for detailed study of the high …

We present a first principles investigation of lithium-and magnesium-intercalation into each
of the layered transition metal dichalcogenides. Using a consistent and thorough …

The electronic and magnetic properties are investigated for pristine Sc 2 CF 2, Sc 2 CF 2-V
Sc (Sc 2 CF 2 with single Sc vacancy), and Sc 2 CF 2-d TM (Sc 2 CF 2 doped with …

Doping semiconductors is crucial for controlling their carrier concentration and enabling
their application in devices such as diodes and transistors. Furthermore, incorporating …

We report the effect of biaxial strain (ε xy) on the electronic and optical properties of the WSe
2 monolayer, doped with transition metal (TM) atoms using density functional theory (DFT) …

Tin disulfide (SnS 2) is a member of the layered metal dichalcogenides family. Monolayer
SnS 2 is a semiconductor with an indirect bandgap of 2.43 eV. It is a nonmagnetic …

In this work, we studied strain-dependent doping and optical absorption in Aluminum (Al)-
doped graphene-like ZnO (g-AZO) monolayer using hybrid-Density functional theory (DFT) …

The adoption of three-dimensional (3D) integration has revolutionized NAND flash memory
technology, and a similar transformative potential exists for logic circuits, by stacking …

In this work, we have investigated the performance of a p-WSe 2 Nanosheets (NSs)/n-WS 2
Quantum dots (QDs)/p-Si (2D-0D-3D) based mixed-dimensional (MD) multilayer …