Single‐atom catalysts (SACs) are efficient for maximizing electrocatalytic activity, but have
unsatisfactory activity for the oxygen evolution reaction (OER). Herein, the NaCl template …

Recently, Ga2O3-based self-powered ultraviolet photodetectors have aroused great interest
due to their potential applications in civil, medical, and environmental monitoring fields. So …

Transition metal chalcogenides have attracted considerable attention for the further
development of nanoscale devices, however low carrier mobility seriously prevents its …

Ga2O3 is emerging as an interesting semiconductor for high-power electronics and solar-
blind ultraviolet photodetectors because of its ultrawide bandgap and high breakdown field …

We have investigated the effects of the number of layers on the structure, vibrational,
electronic and optical properties of α-PbO using first principles calculations. Our theoretical …

The Janus MoSSe sheet has aroused significant attention due to its band edge position and
intrinsic dipole moment, making it a strong candidate for water splitting photocatalysis …

The primary research target of the rapidly evolving spintronic industry is to design highly
efficient novel materials that consume very low power and operate with high speed. Main …

Water confined to nanopores such as carbon nanotubes (CNTs) exhibits different states,
enabling the study of solidlike water nanotubes (WNTs) and the potential application of their …

Janus transition metal dichalcogenides (TMDs) have recently emerged as a new class of
two-dimensional materials with a vertical dipole moment. Here, using time-domain ab initio …

The electronic, the thermal, and the optical properties of hexagonal MgX monolayers (where
X= C, N, and O) are investigated via first principles studies. Ab-initio molecular dynamic …