22 citations · 26 across the 5 of their papers we have counts for
5 papers
Reverse chemistry of iron in the deep Earth
Xiaoli Wang, Xiaolei Feng, Jianfu Li +6
In this work, we demonstrate a remarkable change of chemical trend of Iron under high pressure that is of great importance for understanding the distribution of elements in the Ear…
CNH monolayer: A novel two-dimensional organic Dirac material with high Fermi velocity
Hongzhe Pan, Hongyu Zhang, Yuanyuan Sun +3
Searching for two-dimensional (2D) organic Dirac materials, which have more adaptable practical applications in comparing with inorganic ones, is of great significance and has been…
Strong Orbital Interaction in pi-pi Stacking System
Xiao-Xiao Fu, Jian-Fu Li, Rui-Qin Zhang
A simple prototypical model of aromatic pi-pi stacking system -- benzene sandwich dimer is investigated by ab initio calculations based on second-order Moller-Plesset perturbation…
CH-π interaction-induced deep orbital deformation in a benzene-methane weak binding system
Jianfu Li, Rui-Qin Zhang
The nonbonding interaction between benzene and methane, called CH-π interaction, plays an important role in physical, chemical, and biological fields. CH-π interaction can decrease…
Diamondoid Structure of Polymeric Nitrogen at High Pressures
Xiaoli Wang, Yanchao Wang, Maosheng Miao +6
High-pressure polymeric structures of nitrogen have attracted great attention owing to their potential application as high-energy-density materials. We report the density functiona…