Carbon has numerous one-dimensional (1D), two-dimensional (2D), and three-dimensional
(3D) allotropic structures. The study of carbon materials has long been a major focus of …

In this work, two orthorhombic superhard carbon phases C 16 and C 24 are proposed
theoretically based on first-principles calculations, and both their space group is Cmm 2 …

Two novel superhard 3D sp 3 hybridized carbon allotropes (Cmmm-C 32 and P6/mmm-C
54) are proposed in this work through first-principles calculations. Both Cmmm-C 32 and …

Transition metal nitrides have been widely used in many scientific and technical areas
because of their unique physical and mechanical properties. We report two new nitrogen …

In this work, a novel carbon allotrope tP40 carbon with space group P4/mmm is proposed.
The structural stability, mechanical properties, elastic anisotropy, and electronic properties of …

According to density functional theory (DFT), a novel carbon allotrope is first predicted and
investigated in this paper, denoted as oP72 carbon. oP72 carbon is mechanically stable and …

Two orthorhombic novel superhard sp 3-sp 2 carbon phases Hcc-C 14 and DHcc-C 20 are
considered theoretically in this study, based on density functional theory. Hcc-C 14 and …

Silicon is the most basic and commonly used semiconductor material in the modern
microelectronics industry. Because diamond silicon is an indirect band gap semiconductor …

The recent successful synthesis of Pnnm-CN structure inspired researchers to explore new
superhard 3D C–N compounds via a similar method, that is, high-pressure and high …

Graphene quantum dots which is one of the carbon allotrope become widespread an
industrial usage due to the unique optical and electrical properties. Graphene Quantum Dots …