A novel class of oxynitrides stabilized by nitrogen dimer formation
DC Field | Value | Language |
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dc.contributor.author | Kim, Sangtae | - |
dc.contributor.author | Gwon, Hyo Jin | - |
dc.contributor.author | Peek, Sung Wook | - |
dc.contributor.author | Kim, Seong Keun | - |
dc.contributor.author | Choi, Ji-Won | - |
dc.contributor.author | Kim, Jin-Sang | - |
dc.contributor.author | Choi, Jung-Hae | - |
dc.contributor.author | Kang, Chong-Yun | - |
dc.contributor.author | Baek, Seung-Hyub | - |
dc.date.accessioned | 2021-09-02T06:16:18Z | - |
dc.date.available | 2021-09-02T06:16:18Z | - |
dc.date.created | 2021-06-16 | - |
dc.date.issued | 2018-09-27 | - |
dc.identifier.issn | 2045-2322 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/73051 | - |
dc.description.abstract | Despite the wide applicability of oxynitrides from photocatalysis to refractory coatings, our understanding of the materials has been limited in terms of their thermodynamics. The configurational entropy via randomly mixed O/N or via cation vacancies are known to stabilize oxynitrides, despite the positive formation enthalpies. Here, using tin oxynitrides as a model system, we show by ab initio computations that oxynitrides in seemingly charge-unbalanced composition stabilize by forming pernitrides among metal-(O,N)(6) octahedra. The nitrogen pernitride dimer, =(N-N)=, results in the effective charge of -4, facilitating the formation of nitrogen-rich oxynitrides. We report that the dimer forms only in structures with corner-sharing octahedra, since the N-N bond formation requires sufficient rotational degrees of freedom among the octahedra. X-ray photoemission spectra of the synthesized tin oxynitride films reveal two distinct nitrogen bonding environments, confirming the computation results. This work opens the search space for a novel kind of oxynitrides stabilized by N dimer formation, with specific structural selection rules. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | NATURE PUBLISHING GROUP | - |
dc.subject | CRYSTAL-STRUCTURE DETERMINATION | - |
dc.subject | PLANE-WAVE | - |
dc.subject | NITRIDE | - |
dc.subject | VISUALIZATION | - |
dc.subject | PRINCIPLES | - |
dc.subject | PHOSPHORS | - |
dc.subject | MELILITE | - |
dc.subject | SOLIDS | - |
dc.subject | BINARY | - |
dc.subject | PHASE | - |
dc.title | A novel class of oxynitrides stabilized by nitrogen dimer formation | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kang, Chong-Yun | - |
dc.identifier.doi | 10.1038/s41598-018-32909-x | - |
dc.identifier.scopusid | 2-s2.0-85054049773 | - |
dc.identifier.wosid | 000445816300007 | - |
dc.identifier.bibliographicCitation | SCIENTIFIC REPORTS, v.8 | - |
dc.relation.isPartOf | SCIENTIFIC REPORTS | - |
dc.citation.title | SCIENTIFIC REPORTS | - |
dc.citation.volume | 8 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalWebOfScienceCategory | Multidisciplinary Sciences | - |
dc.subject.keywordPlus | CRYSTAL-STRUCTURE DETERMINATION | - |
dc.subject.keywordPlus | PLANE-WAVE | - |
dc.subject.keywordPlus | NITRIDE | - |
dc.subject.keywordPlus | VISUALIZATION | - |
dc.subject.keywordPlus | PRINCIPLES | - |
dc.subject.keywordPlus | PHOSPHORS | - |
dc.subject.keywordPlus | MELILITE | - |
dc.subject.keywordPlus | SOLIDS | - |
dc.subject.keywordPlus | BINARY | - |
dc.subject.keywordPlus | PHASE | - |
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