The GW approximation in electronic structure theory has become a widespread tool for
predicting electronic excitations in chemical compounds and materials. In the realm of …

Boosted by the great success of graphene, the past decade has witnessed the rapid
development of graphene-analogous two-dimensional (2D) nanomaterials. Despite the high …

Two-dimensional (2D) materials have shown extraordinary performances as photocatalysts
compared to their bulk counterparts. Simulations have made a great contribution to the deep …

Black phosphorus, which is a relatively rare allotrope of phosphorus, was first discovered by
Bridgman in 1914. Since the advent of two-dimensional (2D) black phosphorus (which is …

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 …

Soon after the synthesis of two-dimensional (2D) ultrathin black phosphorus and fabrication
of field effect transistors thereof, theoretical studies have predicted that other group-VA …

As a new type of two‐dimensional (2D) materials, monoelemental 2D materials have the
atomic structure similar to graphene, and their excellent optical and electronic properties …

Few‐layer ultrathin nanosheets and ultrasmall quantum dots of black phosphorus (BP) have
attracted increasing research interest due to their fascinating properties including a tunable …

The Z-scheme heterostructure is a highly promising photocatalyst for its unique electronic
structure. However, a thorough examination of the heterostructure design space through …

We propose a two-dimensional material, δ-CS, and show that it is a direct-band-gap
semiconductor with strong absorption of solar radiation. Power conversion efficiencies of …