Two-dimensional (2D) materials have a wide platform in research and expanding nano-and
atomic-level applications. This study is motivated by the well-established 2D catalysts, which …

Situated between metals and non-metals in the periodic table, boron is one of the most
chemically versatile elements, forming at least sixteen bulk polymorphs composed of …

We present an overview of the main techniques for production and processing of graphene
and related materials (GRMs), as well as the key characterization procedures. We adopt …

Based on evolutionary search and first-principles calculations, we predict for B8Si4
structural stability in terms of cohesive energy, phonon spectrum, and melting point. The size …

We have developed a software package CALYPSO (Crystal structure AnaLYsis by Particle
Swarm Optimization) to predict the energetically stable/metastable crystal structures of …

Boron is a unique element in terms of electron deficiency and Lewis acidity. Incorporation of
boron atoms into an aromatic carbon framework offers a wide variety of functionality …

We predicted two stable two-dimensional materials of carbon and bismuth elements, namely
BiC and Bi 2 C monolayers. The stabilities of two monolayers were examined by cohesive …

Boron, a nearest-neighbor of carbon, is possibly the second element that can possess free-
standing flat monolayer structures, evidenced by recent successful synthesis of single …

Two-dimensional (2D) materials with planar hypercoordinate motifs are extremely rare due
to the difficulty in stabilizing the planar hypercoordinate configurations in extended systems …

Designing new materials with novel topological properties and reduced dimensionality is
always desirable for material innovation. Here we report the design of a two-dimensional …