Aqueous zinc-ion batteries (AZIBs) have garnered significant attention in the realm of large-
scale and sustainable energy storage, primarily owing to their high safety, low cost, and eco …

Hydrogen from direct splitting of water molecules using photons is reckoned to be a
sustainable and renewable energy solution for the post fossil-fuel era. Efficient …

Constructing a TiO2 based heterostructure is a very effective strategy for enhancing
photocatalytic performance. The details of the electronic structure, interfacial interaction, and …

The exploration of photoanode materials with high efficiency and stability is the eternal
pursuit for the realization of practically solar-driven photoelectrochemical (PEC) water …

On the basis of electron–electron self-energy corrections, quasiparticle band structures of
Janus MoSSe and WSSe are identified, and the excitonic effects are demonstrated to play a …

Rechargeable zinc batteries (RZBs) have proved to be promising candidates as an
alternative to lithium‐ion batteries due to their low cost, inherent safety, and environmentally …

Two-dimensional multiferroic materials have garnered broad interests attributed to their
magnetoelectric properties and multifunctional applications. Multiferroic heterostructures …

In this paper, the electronic, optical, and photocatalytic properties of GaSe/HfS 2
heterostructure are studied via first-principles calculations. The stability of the vertically …

As a fast emerging topic, van der Waals (vdW) heterostructures have been proposed to
modify two-dimensional layered materials with desired properties, thus greatly extending the …

With exceptional electrical and mechanical properties and at the same time air-stability,
layered MoSi 2 N 4 has recently drawn great attention. However, band structure engineering …