Moir{\'e} superlattice realized in two-dimensional heterostructures offers an exciting platform to access strongly-correlated electronic states. In this work, we study transition metal dichalcogenides (TMD) superlattices with time-reversal-symmetry and nontrivial spin{/valley}-Chern numbers. Utilizing realistic material parameters the method of exact diagonalization, find that at a certain twis...

Metal-dioxide &metal-dichalcogenide monolayers are studied by means of Density Functional Theory. For an accurate reproduction of the electronic structure of transition metal systems, the spin orbit interaction is considered by using fully relativistic pseudopotentials (FRUP). The electronic and spin properties of MX2 (M = Sc, Cr, Mn, Ni, Mo &W and X = O, S, Se &Te) were obtained with FRUP, com...

The oxygen evolution reaction (OER) has proved to be a hard-to-overlook impediment for the development of water splitting devices, metal-air batteries, or photo-electrochemical cells, name but few. Electro- and photo-electrocatalysts, designed using inexpensive materials, that demand low overpotential values smoothly drive OER in either electrolyzer devices proton-exchange membrane as well with...

Abstract Van der Waals heterobilayers based on 2D transition metal dichalcogenides have been recently shown to support robust and long-lived valley polarization for potential valleytronic applications. However, the roles of chemical composition geometric alignment constituent layers in underlying dynamics remain largely unexplored. Here we study spin–valley relaxation with different structures ...

We examine the full static non-linear optical response of uniaxially strained transition metal dichalcogenide monolayers doped with a finite carrier density in conduction band, presence disorder. find that customary shift current is suppressed, yet we identify strong, valley-dependent non-reciprocal response, which term \textit{unidirectional valley-contrasting photo-current} (UVCP). This DC or...

The conversion efficiency of ultra-thin solar cells based on layered materials has been limited by their open-circuit voltage, which is typically pinned to a value under 0.6 V. Here we report an voltage 1.02 V in 120 nm-thick vertically stacked homojunction fabricated with substitutionally doped MoS2. This high consistent the band alignment MoS2 homojunction, more favourable than widely-used TM...