{"title":"Promoted Hydride Substitution in BaTiO3 Cubes","authors":"Kazunari Arai, Kaito Onagi, Ya Tang, Toru Ishigaki, Hiroaki Sai, Yuki Sasahara, Gabriel Caruntu, Harumi Okabe, Masaru Harada, Kouichi Nakashima, Hiroshi Kageyama","doi":"10.1021/acs.inorgchem.4c03757","DOIUrl":null,"url":null,"abstract":"We report the synthesis of perovskite oxyhydride BaTiO<sub>3–<i>x</i></sub>H<i><sub>x</sub></i> cubes (100–300 nm) using the topochemical hydride reaction of the hydrothermally synthesized oxide. X-ray and neutron diffraction studies revealed that the anion (hydride/oxide) exchange is greatly improved, leading to a maximum hydride content of 0.7, which is higher than previously reported, while no reaction is seen for those with oleic acid on their surface. These results indicate that the well-defined {100} facets, as well as the absence of organic residues, are crucial for promoting hydrogenation. Kissinger analysis on BaTiO<sub>2.3</sub>H<sub>0.7</sub> yielded an activation energy of 165 kJ/mol, much lower than that of BaTiO<sub>2.4</sub>H<sub>0.6</sub> (313 kJ/mol). In contrast to oxides, oxyhydrides with well-defined facets have not been reported before; thus, this study opens new avenues for the rational synthesis of oxyhydride materials with controlled chemical composition and morphology.","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":"46 1","pages":""},"PeriodicalIF":4.3000,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acs.inorgchem.4c03757","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
Abstract
We report the synthesis of perovskite oxyhydride BaTiO3–xHx cubes (100–300 nm) using the topochemical hydride reaction of the hydrothermally synthesized oxide. X-ray and neutron diffraction studies revealed that the anion (hydride/oxide) exchange is greatly improved, leading to a maximum hydride content of 0.7, which is higher than previously reported, while no reaction is seen for those with oleic acid on their surface. These results indicate that the well-defined {100} facets, as well as the absence of organic residues, are crucial for promoting hydrogenation. Kissinger analysis on BaTiO2.3H0.7 yielded an activation energy of 165 kJ/mol, much lower than that of BaTiO2.4H0.6 (313 kJ/mol). In contrast to oxides, oxyhydrides with well-defined facets have not been reported before; thus, this study opens new avenues for the rational synthesis of oxyhydride materials with controlled chemical composition and morphology.
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.
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