A combined experimental and theoretical study on the formation of Crystalline Vanadium Nitride (VN) in low temperature through a fully solid-state synthesis route

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorSouza, Eugenio F. de-
Autor(es): dc.creatorChagas, Carlos A.-
Autor(es): dc.creatorRamalho, Teodorico C.-
Autor(es): dc.creatorSilva, Victor Teixeira da-
Autor(es): dc.creatorAguiar, Daniel L. M.-
Autor(es): dc.creatorGil, Rosane San-
Autor(es): dc.creatorAlencastro, Ricardo B. de-
Data de aceite: dc.date.accessioned2026-02-09T11:15:51Z-
Data de disponibilização: dc.date.available2026-02-09T11:15:51Z-
Data de envio: dc.date.issued2020-05-24-
Data de envio: dc.date.issued2020-05-24-
Data de envio: dc.date.issued2013-11-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/41171-
Fonte completa do material: dc.identifierhttps://pubs.acs.org/doi/10.1021/jp410885u-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1137134-
Descrição: dc.descriptionAn efficient method of synthesis of the vanadium nitride (VN) at low temperature is evaluated, and a mechanism for the crystallization process is proposed in this paper. From the mixture of ammonium m-vanadate with guanidinium carbonate an intermediate, guanidinium m-vanadate (GmV), is produced. GmV decomposed and underwent interesting structural transformations with increasing temperatures. This process is studied by theoretical (periodic DFT calculations) and experimental (51V MAS NMR, XRD, FTIR, and elemental analysis) methods. It is proposed that GmV is first decomposed into reactive species, then through solid-state transformations it is converted into vanadium oxynitride (VOxN1–x) with varying stoichiometry, and, last, GmV transforms itself into crystalline NaCl-type structure vanadium nitride. The DFT calculations show that this transformation is energetically favorable, and the formation of a VOxN1–x solid solution is feasible.-
Idioma: dc.languageen-
Publicador: dc.publisherAmerican Chemical Society (ACS)-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceJournal of Physical Chemistry C-
Palavras-chave: dc.subjectCrystallization-
Palavras-chave: dc.subjectNitrides-
Palavras-chave: dc.subjectChemical structure-
Palavras-chave: dc.subjectOxygen-
Palavras-chave: dc.subjectVanadium-
Título: dc.titleA combined experimental and theoretical study on the formation of Crystalline Vanadium Nitride (VN) in low temperature through a fully solid-state synthesis route-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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