3 papers
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2024
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…