Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles
文献类型：期刊论文
| 作者 | BSRF用户 |
| 刊名 | RSC ADVANCES
 |
| 出版日期 | 2021 |
| 卷号 | 11期号:35页码:21507--21513 |
| DOI | 10.1039/d1ra00522g |
| 文献子类 | Article |
| 英文摘要 | High-energy-density materials (HEDMs) require new design rules collected from experimental and theoretical results and a proposed mechanism. One of the targeted systems is the nitrogen-rich compounds as precursors for possible polymeric nitrogen or its counterpart in a reasonable pressure range. 1H-tetrazole (CH2N4) with hydrogen bonds was studied under pressure by both diffraction and spectroscopy techniques. The observed crystal structure phase transition and hydrogen bond-assisted electronic structure anomaly were confirmed by first-principles calculation. The rearrangement of the hydrogen bonds under pressure elucidates the bonding interactions of the nitrogen-rich system in local 3D chemical environments, allowing the discovery and design of a feasible materials system to make new-generation high-energy materials. |
| 电子版国际标准刊号 | 2046-2069 |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000665644000029 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/293350]  |
| 专题 | 北京同步辐射装置 |
| 推荐引用方式 GB/T 7714 | BSRF用户. Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles[J]. RSC ADVANCES,2021,11(35):21507--21513. |
| APA | BSRF用户.(2021).Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles.RSC ADVANCES,11(35),21507--21513. |
| MLA | BSRF用户."Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles".RSC ADVANCES 11.35(2021):21507--21513. |
入库方式： OAI收割
来源：高能物理研究所
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