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 …

Over the past few decades, the design and development of carbon materials have occurred
at a rapid pace. In particular, these porous graphene‐like carbon nitride materials have …

Based on first-principles calculations, we investigate a novel class of 2D materials–MX2
metal dihalides (X= Cl, Br, I). Our results show that single-layer dihalides are energetically …

Photocatalytic water splitting has long been considered as a source of pollution-free clean
energy and finding an efficient photocatalyst for this reaction has remained a major …

Using the first-principles calculations, we explore the structural and novel electronic/optical
properties of the C 2 N nanosheet. To this goal, we systematically investigate the affect of …

Abstracts Constructing van der Waals heterostructure has triggered enormous interest in the
field of photocatalytic water splitting. Herein, we have investigated the structural, electronic …

In this work, the structural, electronic and optical properties of monolayer and bilayer of
boron doped C3N are investigated by means of density functional theory-based first …

Owing to naturally existing uniform periodic pores in two-dimensional (2D) C2N layers, they
can be an ideal candidate for hydrogen storage materials among other 2D materials. Here …

Employing first-principles calculations, the stabilities, electronic and optical properties of
halogenated diamane (C4X2; X= F, Cl, Br) are systematically investigated. In particular …

The development and design of environmentally friendly, low-cost catalysts for water
splitting is one of the most promising methods to solve current environmental problems. The …