As the promising and highly‐focused materials after silicon, carbon, and phosphorus
promote the development of nanotechnology due to its allotropes with unique structures and …

The most recent data on experimentally undiscovered carbon allotropes, predicted by the
Density Function Theory (DFT), are reviewed. Classic carbon allotropes, graphenes, carbon …

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 carbon allotropes in the P4/mmm phase with sp 3 hybridization, denoted as
P4/mmm C 40 and P4/mmm C 60, are predicted using the density functional theory. Both the …

Two dimensional carbon allotropes with multiple atomic layers have attracted significant
interest recently. In this work a new three atomic layer thick 2D carbon allotrope, twin T …

A new allotrope of sp 3 hybrid superhard carbon, tP176 carbon, is proposed and
investigated in this work. The tP176 carbon is dynamically, thermodynamically and …

As a newly synthesized two-dimensional carbon material, the stability study of monolayer
fullerene networks or quasi-hexagonal phase fullerenes (qhp-C60) is timely desirable. We …

A boron-doped graphene (BG)/boron-doped diamond (BDD) composite film was obtained
by continuously growing BDD and BG by chemical vapor deposition. In this process, the sp 3 …

The formation geometry, electronic property, gas sensing and reactive activity of single-atom
Fe anchored on different nanoporous carbon materials (graphenylene-Fe and γ-graphyne …

A new two dimensional carbon allotrope TPDH-graphene (Tetra-Penta-Deca-Hexagonal-
graphene) belonging to the tetragonal-pentagonal carbon ring family is proposed in this …