富氮区氮化铷高压研究

IF 4.6 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B Pub Date : 2025-10-01 DOI:10.1016/j.mseb.2025.118824

Jiamei Song, Chuxuan Wang, Jiajing Yuan, Qiao Qiao, Wei Feng, Yuanyuan Wang, Zhihui Li, Zhen Yao

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引用次数: 0

摘要

更新了RbN系统的高压相图，提出了6个高压相（C2/m-RbN、P21/c-RbN3、p6mm - rbn3、P4bm-RbN5、P1-RbN6和Cm-RbN5）。P21/c-RbN3、p6mm - rbn3、p4mm - rbn5和P1-RbN6均可淬火至常温和常压条件。Rb和N原子之间的电荷转移促进了RbN离子键相互作用的形成，对结构的稳定性起着重要的作用。值得注意的是，芳香N5环在P4bm-RbN5和Cm-RbN5中均有发现。更重要的是，富氮RbN化合物具有较高的体积能量密度（Ev = 8.47 ~ 13.92 kJ/cm3），表明它们是高能量密度材料的潜在候选者。本研究为实验合成具有高能特性的新型金属富氮化合物提供了理论指导。

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High-pressure study of rubidium nitrides in nitrogen-rich region

The high-pressure phase diagram of the RbN system was updated by proposing six high-pressure phases (C2/m-RbN, P2₁/c-RbN₃, P6mmm-RbN₃, P4bm-RbN₅, P1-RbN₆, and Cm-RbN₅). The P21/c-RbN₃, P6mmm-RbN₃, and P4bm-RbN₅ and P1-RbN₆ can be quenched to ambient pressure and temperature conditions. The charge transfer between Rb and N atoms promotes the formation of RbN ionic bond interactions, which plays an important role in the structural stability. Notably, the aromatic N₅ rings are found in both P4bm-RbN₅ and Cm-RbN₅. More importantly, the nitrogen-rich RbN compounds exhibit high volumetric energy densities (E_v = 8.47–13.92 kJ/cm³), indicates that they are potential candidates as high energy density materials. This study provides theoretical guidance for experimental synthesis of novel metal nitrogen-rich compounds with high-energy characteristics.

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来源期刊

Materials Science and Engineering: B 工程技术-材料科学：综合

CiteScore

5.60

自引率

2.80%

发文量

481

审稿时长

3.5 months

期刊介绍： The journal provides an international medium for the publication of theoretical and experimental studies and reviews related to the electronic, electrochemical, ionic, magnetic, optical, and biosensing properties of solid state materials in bulk, thin film and particulate forms. Papers dealing with synthesis, processing, characterization, structure, physical properties and computational aspects of nano-crystalline, crystalline, amorphous and glassy forms of ceramics, semiconductors, layered insertion compounds, low-dimensional compounds and systems, fast-ion conductors, polymers and dielectrics are viewed as suitable for publication. Articles focused on nano-structured aspects of these advanced solid-state materials will also be considered suitable.