Synthesis and Stability of High-Energy-Density Niobium Nitrides under High-Pressure Conditions

IF 4.3 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Pub Date : 2024-12-21 DOI:10.1021/acs.inorgchem.4c03331

Huawei Chen, Maxim Bykov, Iskander G. Batyrev, Lukas Brüning, Elena Bykova, Mohammad F. Mahmood, Stella Chariton, Vitali B. Prakapenka, Timofey Fedotenko, Konstantin Glazyrin, Mohamed Mezouar, Gaston Garbarino, Andrew Steele, Alexander F. Goncharov

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引用次数: 0

Abstract

High-energy-density materials (HEDMs) are crucial in various applications, from energy storage to defense technologies. Transition metal polynitrides are promising candidates for HEDMs. Using single-crystal synchrotron X-ray diffraction, we investigated the crystal structures of niobium nitride, specifically Nb₂N₃ and NbN₂, under high-pressure conditions of up to 86 GPa. At higher pressures, niobium polynitrides NbN₄ and NbN₅ were observed to be stable from 100 to 120 GPa, which feature low-order nitrogen bonding. The low-order bonded nitrogen in NbN₄ and NbN₅ forms multiple polynitrogen anions at megabar pressure ranges. In the Nb–N system, we observed an increasing coordination number of metal–nitrogen as pressure increased. These structures were supported by density functional theory (DFT) calculations and Raman spectroscopy.

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来源期刊

Inorganic Chemistry 化学-无机化学与核化学

CiteScore

7.60

自引率

13.00%

发文量

1960

审稿时长

1.9 months

期刊介绍： Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.