Sophie Hund, Oscar Gómez-Cápiro, Holger Ruland, Eva M. Heppke, Martin Lerch
{"title":"Ni2Mo3N: crystal structure, thermal properties, and catalytic activity for ammonia decomposition","authors":"Sophie Hund, Oscar Gómez-Cápiro, Holger Ruland, Eva M. Heppke, Martin Lerch","doi":"10.1515/znb-2023-0071","DOIUrl":null,"url":null,"abstract":"Ni<jats:sub>2</jats:sub>Mo<jats:sub>3</jats:sub>N was synthesized by ammonolysis of NiMoO<jats:sub>4</jats:sub>, prepared by a sol-gel-based modified Pechini route. X-ray powder diffraction measurements confirmed that Ni<jats:sub>2</jats:sub>Mo<jats:sub>3</jats:sub>N crystallizes in a filled <jats:italic>β</jats:italic>-Mn type (cubic space group <jats:italic>P</jats:italic>4<jats:sub>1</jats:sub>32) with a lattice parameter of <jats:italic>a</jats:italic> = 6.6338 Å. Group theoretical methods were applied to elucidate the relation between the crystal structure of Ni<jats:sub>2</jats:sub>Mo<jats:sub>3</jats:sub>N and that of the rock salt type. The high-temperature behavior was investigated <jats:italic>in-situ</jats:italic> by X-ray diffraction measurements in flowing ammonia gas at temperatures up to 875 °C. Ni<jats:sub>2</jats:sub>Mo<jats:sub>3</jats:sub>N exhibits significant catalytical activity for ammonia decomposition, which is critically discussed in comparison to literature.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"59 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Zeitschrift für Naturforschung B","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1515/znb-2023-0071","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Ni2Mo3N was synthesized by ammonolysis of NiMoO4, prepared by a sol-gel-based modified Pechini route. X-ray powder diffraction measurements confirmed that Ni2Mo3N crystallizes in a filled β-Mn type (cubic space group P4132) with a lattice parameter of a = 6.6338 Å. Group theoretical methods were applied to elucidate the relation between the crystal structure of Ni2Mo3N and that of the rock salt type. The high-temperature behavior was investigated in-situ by X-ray diffraction measurements in flowing ammonia gas at temperatures up to 875 °C. Ni2Mo3N exhibits significant catalytical activity for ammonia decomposition, which is critically discussed in comparison to literature.