Graphdiyne (GDY), a novel two-dimensional carbon allotrope whose features bring together
in layers along sp and sp 2 hybridization based Carbon-atoms are receiving increased …

Carbon materials are inexpensive and high‐performance nanomaterials producing ample
scope for versatile applications. Graphdiyne (GDY) is a two-dimensional allotrope of carbon …

Determining bulk moduli is central to high-throughput screening of ultraincompressible
materials. However, existing approaches are either too inaccurate or too expensive for …

Graphene and phosphorene are two major types of atomically thin two-dimensional
materials under extensive investigation. However, the zero band gap of graphene and the …

The feasibility and solar-to-hydrogen efficiency (η STH) of the photocatalytic hydrogen
evolution reaction (HER) with the Sb 2 S 3–P2 1/m monolayer and RuI 2/Sb 2 S 3–P3m 1 …

We report diffusion quantum Monte Carlo calculations of the interlayer binding energy of
bilayer graphene. We find the binding energies of the AA-and AB-stacked structures at the …

Graphene has attracted great interest because of its remarkable properties and numerous
potential applications. A comprehensive understanding of its structural and dynamic …

This tutorial review describes the ongoing effort to convert main-group elements of the
periodic table and their combinations into stable 2D materials, which is sometimes called …

Recent advances in transmission electron microscopy instrumentation have made it an
indispensable technique for atomic-scale materials characterization. Concurrently, the …

The design of materials meeting the rigorous requirements of photocatalytic water splitting is
still a challenge. Anisotropic Janus 2D materials exhibit great potential due to outstandingly …