6 citations · 6 across the 1 of their papers we have counts for
9 papers
Quantum tunnelling in hydrogen atom transfer brings uncertainty to polymer degradation
Yu Zhu, Xinrui Yang, Famin Yu +4
The low degradability of common polymers composed of light elements, results in a serious impact on the environment, which has become an urgent problem to be solved. As the reverse…
A short-range metastable defect in the double layer ice
Zhiyuan Zhang, Yu Zhu, Le Jin +4
Although the phase of water has extensively investigated whether there exists a defect distorting only locally the structure still under debate. Here we report a localized 5775 def…
Unidirectional Oriented Water Wire in Short Nanotube
Le Jin, Depeng Zhang, Yu Zhu +3
The orientation of water molecules is the key factor for the fast transport of water in small nanotubes. It has been accepted that the bidirectional water burst in short nanotubes…
Electronic quantum effect on hydrogen bond geometry in water dimer
Danhui Li, Zhiyuan Zhang, Wanrun Jiang +3
During compression of a water dimer calculated with high-precision first-principles methods, the trends of H-bond and O-H bond lengths show quantum effect of the electronic structu…
Emerging disciplines based on superatoms: a perspective point of view
Jianpeng Wang, Weiyu Xie, Yang Gao +2
In this work, our statements are based on the progress of current research on superatomic clusters. Combining the new trend of materials and device manufacture at the atomic level,…
Spin Polarization and Dispersion Effects in Emergence of Roaming Transition State for Nitrobenzene Isomerization
Zhiyuan Zhang, Wanrun Jiang, Bo Wang +2
Since roaming was found as a new but common reaction path of isomerization, many of its properties, especially those of roaming transition state (TSR), have been studied recently o…