5 papers · 1 filter
Unsaturated Dinitrogen Difluoride under Pressure: toward high-Energy Density Polymerized NF Chains
Guo Chen, Ling Lin, Chengfeng Zhang +3
Based on first-principles calculations and ab initio molecular dynamics simulations, the polymerisation of the unsaturated cis dinitrogen-difluoride (cis-N2F2) molecular compound i…
Realizing stable zig-zag polymeric nitrogen chains in P-N compounds
Chengfeng zhang, Guo Chen, Yanfeng Zhang +2
The zig-zag Nitrogen (N) chain similar to the Ch-N structure has long been considered a potential high energy density structure. However, all previously predicted zig-zag N chain s…
High-pressure synthesis of K_{4}N_{6} compound entirely composed of aromatic hexazine [N_{6}]^{4-} anion
Jie Zhang, Tingting Ye, Guo Chen +4
The synthesis of hexazine N_{6} ring is another milestone in nitrogen chemistry after that of aromatic [N_{5}]^{-} anion. However, due to the diversity of carried charges, realizin…
Charge transfer induced cubic gauche nitrogen from azides
Tingting Ye, Yuxuan Xu, Guo Chen +5
Cubic gauche nitrogen (cg-N) with a three-dimensional network of N-N single bonds attracted lots of attentions in last decades, since it theoretically has five times larger energy…
Realized Stable BP-N at Ambient Pressure by Phosphorus Doping
Guo Chen, Chengfeng Zhang, Yuanqin Zhu +3
Black phosphorus nitrogen (BP-N) is an attractive high-energy-density material. However, high-pressure synthesized BP-N will decompose at low-pressure and cannot be quenched to amb…