21 citations · 37 across the 5 of their papers we have counts for
5 papers
Graphether: A Two-Dimensional Oxocarbon as a Direct Wide-Gap Semiconductor with High Mechanical and Electrical Performances
Gui-Lin Zhu, Xiao-Juan Ye, Chun-Sheng Liu
Although many graphene derivatives have sizable band gaps, their electrical or mechanical properties are significantly degraded due to the low degree of π-conjugation. Besides the…
Constructing silicon nanotubes by assembling hydrogenated silicon clusters
Lingju Guo, Xiaohong Zheng, Chunsheng Liu +2
The search or design of silicon nanostructures similar to their carbon analogues has attracted great interest recently. In this work, density functional calculations are performed…
Titanium-capped carbon chains as promising new hydrogen storage media
Chun-Sheng Liu, Hui An, Zhi Zeng
The capacity of Ti-capped sp carbon atomic chains for use as hydrogen storage media is studied using first-principles density functional theory. The Ti atom is strongly attached at…
Realization of high-capacity hydrogen storage using carbon atomic chains: the role of terminations
Chun-Sheng Liu, Hui An, Zhi Zeng
The capacity of carbon atomic chains with different terminations for hydrogen storage is studied using first-principles density functional theory calculations. Unlike the physisorp…
An ab initio design of cluster-assembled silicon nanotubes
Lingju Guo, Xiaohong Zheng, Chunsheng Liu +1
Density functional calculations were performed to systematically study a series of finite and infinite cluster-assembled silicon nanotubes (SiNTs). One-dimensional SiNTs can be pre…