143 citations · 612 across the 13 of their papers we have counts for
4 papers · 1 filter
Structure, stability and electronic properties of tricycle type graphane
Chaoyu He, L. Z. Sun, C. X. Zhang +3
We propose a new allotrope of graphane, named as tricycle graphane,with a 4up/2down UUUDUD hydrogenation in each hexagonal carbon ring,which is different from previously proposed a…
Four superhard carbon allotropes: First-principle study
Chaoyu He, L. Z. Sun, C. X. Zhang +3
Using a generalized genetic algorithm, we propose four new sp3 carbon allotropes with 5-6-7 (5-6-7-type Z-ACA and Z-CACB) or 4-6-8(4-6-8-type Z4-A3B1 and A4-A2B2) carbon rings. The…
First-principles study of a novel superhard boron nitride phase
Chaoyu He, L. Z. Sun, C. X. Zhang +3
A superhard boron nitride phase dubbed as Z-BN is proposed as possible intermediate phase between h-BN and zinc blende BN (c-BN), and investigated using first-principles calculatio…
New Superhard Carbon Phases Between Graphite and Diamond
Chaoyu He, L. Z. Sun, C. X. Zhang +3
Two new carbon allotropes (H-carbon and S-carbon) are proposed, as possible candidates for the intermediate superhard phases between graphite and diamond obtained in the process of…