216 citations · 267 across the 17 of their papers we have counts for
5 papers · 1 filter
Oxygen dissociation on the C3N monolayer: A first-principles study
Liang Zhao, Wenjin Luo, Zhijing Huang +4
The oxygen dissociation and the oxidized structure on the pristine C3N monolayer in exposure to air are the inevitably critical issues for the C3N engineering and surface functiona…
Locally Spontaneous Dynamic Oxygen Migration on Biphenylene: A DFT Study
Boyi Situ, Zihan Yan, Rubin Huo +5
The dynamic oxygen migration at the interface of carbon allotropes dominated by the periodic hexagonal rings, including graphene and carbon nanotube, has opened up a new avenue to…
Unexpectedly Spontaneous Water Dissociation on Graphene Oxide Supported by Copper Substrate
Zhijing Huang, Zihan Yan, Guangdong Zhu +5
Water dissociation is of fundamental importance in scientific fields and has drawn considerable interest in diverse technological applications. However, the high activation barrier…
Remarkably Enhanced Dynamic Oxygen Migration on Graphene Oxide Supported by Copper Substrate
Zihan Yan, Wenjie Yang, Hao Yang +5
The dynamic covalent properties of graphene oxide (GO) are of fundamental interest to a broad range of scientific areas and technological applications. It remains a challenge to ac…
Unexpected Spontaneously Dynamic Oxygen Migration on Carbon Nanotubes
Guangdong Zhu, Zhijing Huang, Liang Zhao +1
Using the density functional theory calculations, we show that the oxygen functional groups exhibit unexpected spontaneously dynamic behaviors on the interior surface of single-wal…