| High Energy Density Polymeric Nitrogen Nanotubes inside Carbon Nanotubes |
| |
| 作者姓名： | 丁驰 王俊杰 韩瑜 袁嘉男 高豪 孙建 |
| |
| 作者单位： | National Laboratory of Solid State Microstructures, School of Physics and Collaborative Innovation Center of Advanced Microstructures, Nanjing University |
| |
| 基金项目： | financial support from the National Natural Science Foundation of China (Grant Nos. 12125404, 11974162, and 11834006)；;the Fundamental Research Funds for the Central Universities； |
| |
| 摘 要： | Polymeric nitrogen as a new class of high energy density materials has promising applications. We develop a new scheme of crystal structure searching in a confined space using external confining potentials fitted from firstprinciples calculations. As a showcase, this method is employed to systematically explore novel polymeric nitrogen structures confined in single-walled carbon nanotubes. Several quasi-one-dimensional single-bonded polymeric nitrogen structures are realized, two of them are com...
|
|
|
