• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

六方氮化钌铁相的结构与氨合成活性

Structures and ammonia synthesis activity of hexagonal ruthenium iron nitride phases.

作者信息

Shao Li, Daisley Angela, Higham Michael, Catlow C Richard A, Hargreaves Justin S J, Hector Andrew L

机构信息

School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK.

School of Chemistry, Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.

出版信息

iScience. 2024 Aug 23;27(9):110795. doi: 10.1016/j.isci.2024.110795. eCollection 2024 Sep 20.

DOI:10.1016/j.isci.2024.110795
PMID:39290839
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11406097/
Abstract

A series of ruthenium iron nitride phases with Ru:Fe ratios of ca. 1:3 were synthesized by ammonolysis. When the ammonolysis temperature was above 500°C, the obtained RuFeN materials had a ε-FeN (622) structure, while two similar phases were present when the ammonolysis was lower than 500°C. Powder neutron diffraction identified one phase as relating to the ε-FeN structure, while the other had a disordered NiAs-type (6/) structure. These ternary metal nitrides show ammonia synthesis activity at low temperature (200°C-300°C) and ambient pressure, which can be related to the loss of lattice nitrogen. Steady state catalytic performance at 400°C is associated with ruthenium-iron alloy. Additionally, density functional theory calculations were performed using an approximate model for the disordered hexagonal phase, revealing that this phase is more stable than a cubic anti-perovskite phase which has been previously investigated computationally, and corroborating the experimental findings of the present work.

摘要

通过氨解合成了一系列钌铁比约为1:3的钌铁氮化物相。当氨解温度高于500°C时，所得的RuFeN材料具有ε-FeN(622)结构，而当氨解温度低于500°C时存在两个相似的相。粉末中子衍射确定一个相与ε-FeN结构相关，而另一个具有无序的NiAs型(6/)结构。这些三元金属氮化物在低温(200°C - 300°C)和常压下显示出氨合成活性，这可能与晶格氮的损失有关。400°C下的稳态催化性能与钌铁合金有关。此外，使用无序六方相的近似模型进行了密度泛函理论计算，结果表明该相比先前通过计算研究的立方反钙钛矿相更稳定，从而证实了本工作的实验结果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/05e0a79ed380/gr9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/a5c3f7f5c6d6/fx1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/e5dbd85bcc19/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/717654f00fc0/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/c7425abba8ae/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/01a37782db04/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/049d51d778a8/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/53e0b786dde7/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/9a8c663ada6e/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/e747a9971aa9/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/05e0a79ed380/gr9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/a5c3f7f5c6d6/fx1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/e5dbd85bcc19/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/717654f00fc0/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/c7425abba8ae/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/01a37782db04/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/049d51d778a8/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/53e0b786dde7/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/9a8c663ada6e/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/e747a9971aa9/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df9/11406097/05e0a79ed380/gr9.jpg

相似文献

1
Structures and ammonia synthesis activity of hexagonal ruthenium iron nitride phases.六方氮化钌铁相的结构与氨合成活性
iScience. 2024 Aug 23;27(9):110795. doi: 10.1016/j.isci.2024.110795. eCollection 2024 Sep 20.
2
Experimental and theoretical investigations on the anti-perovskite nitrides CoCuN, NiCuN and CoMoN for ammonia synthesis.用于氨合成的反钙钛矿氮化物CoCuN、NiCuN和CoMoN的实验与理论研究。
Faraday Discuss. 2023 Jul 19;243(0):97-125. doi: 10.1039/d2fd00151a.
3
Heteroepitaxial Growth of B -Site-Rich Ru Nanoparticles Guided by Hexagonal Boron Nitride for Low-Temperature Ammonia Dehydrogenation.六方氮化硼引导下富B位钌纳米颗粒的异质外延生长用于低温氨脱氢
Adv Mater. 2023 Jan;35(4):e2203364. doi: 10.1002/adma.202203364. Epub 2022 Aug 11.
4
Planning Implications Related to Sterilization-Sensitive Science Investigations Associated with Mars Sample Return (MSR).与火星样本返回（MSR）相关的对灭菌敏感的科学研究的规划意义。
Astrobiology. 2022 Jun;22(S1):S112-S164. doi: 10.1089/AST.2021.0113. Epub 2022 May 19.
5
Ordering of nitrogen in nickel nitride Ni(3)N determined by neutron diffraction.
Inorg Chem. 2001 Nov 5;40(23):5818-22. doi: 10.1021/ic0104860.
6
Bulk phase behavior of lithium imide-metal nitride ammonia decomposition catalysts.锂酰亚胺-金属氮化物氨分解催化剂的体相行为。
Phys Chem Chem Phys. 2018 Sep 12;20(35):22689-22697. doi: 10.1039/c8cp02824a.
7
Nitrogen Photofixation over III-Nitride Nanowires Assisted by Ruthenium Clusters of Low Atomicity.低原子序数钌原子簇辅助 III 族氮化物纳米线的氮光固定。
Angew Chem Int Ed Engl. 2017 Jul 17;56(30):8701-8705. doi: 10.1002/anie.201703301. Epub 2017 Jun 23.
8
Coordination compound-derived FeN/FeN/Fe/CNT for efficient electrocatalytic oxygen evolution: a facile one-step synthesis in the absence of extra nitrogen source.配位化合物衍生的FeN/FeN/Fe/CNT用于高效电催化析氧：在无额外氮源情况下的简便一步合成法
Nanotechnology. 2022 Aug 30;33(46). doi: 10.1088/1361-6528/ac810b.
9
Chemical looping of metal nitride catalysts: low-pressure ammonia synthesis for energy storage.金属氮化物催化剂的化学循环：用于能量存储的低压氨合成
Chem Sci. 2015 Jul 1;6(7):3965-3974. doi: 10.1039/c5sc00789e. Epub 2015 May 1.
10
Citrate-gel preparation and ammonia synthesis activity of compounds in the quaternary (Ni,M)MoN (M = Cu or Fe) systems.季戊四醇凝胶法制备和四元（Ni，M）MoN（M = Cu 或 Fe）体系化合物的氨合成活性。
Dalton Trans. 2019 Nov 28;48(44):16786-16792. doi: 10.1039/c9dt03673c. Epub 2019 Nov 4.

引用本文的文献

1
Machine learning-assisted Ru-N bond regulation for ammonia synthesis.机器学习辅助的用于氨合成的Ru-N键调控
Nat Commun. 2025 Aug 21;16(1):7818. doi: 10.1038/s41467-025-63064-3.

本文引用的文献

1
Experimental and theoretical investigations on the anti-perovskite nitrides CoCuN, NiCuN and CoMoN for ammonia synthesis.用于氨合成的反钙钛矿氮化物CoCuN、NiCuN和CoMoN的实验与理论研究。
Faraday Discuss. 2023 Jul 19;243(0):97-125. doi: 10.1039/d2fd00151a.
2
Contribution of Nitrogen Vacancies to Ammonia Synthesis over Metal Nitride Catalysts.氮空位对金属氮化物催化剂上氨合成的贡献。
J Am Chem Soc. 2020 Aug 19;142(33):14374-14383. doi: 10.1021/jacs.0c06624. Epub 2020 Aug 7.
3
Citrate-gel preparation and ammonia synthesis activity of compounds in the quaternary (Ni,M)MoN (M = Cu or Fe) systems.
季戊四醇凝胶法制备和四元（Ni，M）MoN（M = Cu 或 Fe）体系化合物的氨合成活性。
Dalton Trans. 2019 Nov 28;48(44):16786-16792. doi: 10.1039/c9dt03673c. Epub 2019 Nov 4.
4
Tailoring widely used ammonia synthesis catalysts for H and N poisoning resistance.为抗 H 和 N 中毒而对广泛使用的氨合成催化剂进行调整。
Phys Chem Chem Phys. 2019 Feb 27;21(9):5117-5122. doi: 10.1039/c8cp05800h.
5
Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains.高压下的 Fe-N 体系展现出一种具有聚合氮链的化合物。
Nat Commun. 2018 Jul 16;9(1):2756. doi: 10.1038/s41467-018-05143-2.
6
High-Pressure NiAs-Type Modification of FeN.高压 NiAs 型 FeN 的结构
Angew Chem Int Ed Engl. 2017 Jun 12;56(25):7302-7306. doi: 10.1002/anie.201702440. Epub 2017 May 18.
7
Recent progress in transition-metal-catalyzed reduction of molecular dinitrogen under ambient reaction conditions.过渡金属催化在环境反应条件下分子态二氮还原的近期进展。
Inorg Chem. 2015 Oct 5;54(19):9234-47. doi: 10.1021/acs.inorgchem.5b00881. Epub 2015 Jul 1.
8
Effect of the damping function in dispersion corrected density functional theory.色散修正密度泛函理论中阻尼函数的作用。
J Comput Chem. 2011 May;32(7):1456-65. doi: 10.1002/jcc.21759. Epub 2011 Mar 1.
9
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.针对 H-Pu 94 个元素，进行了一致且准确的从头计算（ab initio）密度泛函色散校正（DFT-D）参数化。
J Chem Phys. 2010 Apr 21;132(15):154104. doi: 10.1063/1.3382344.
10
Ordering of nitrogen in nickel nitride Ni(3)N determined by neutron diffraction.
Inorg Chem. 2001 Nov 5;40(23):5818-22. doi: 10.1021/ic0104860.