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Pressure-Driven Isostructural Phase Transition in InNbO4: In Situ Experimental and Theoretical Investigations

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Pressure-Driven Isostructural Phase Transition in InNbO4: In Situ Experimental and Theoretical Investigations

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Garg, AB.; Errandonea, D.; Popescu, C.; Martínez-García, D.; Pellicer Porres, J.; Rodríguez-Hernández, P.; Muñoz, A.... (2017). Pressure-Driven Isostructural Phase Transition in InNbO4: In Situ Experimental and Theoretical Investigations. Inorganic Chemistry. 56(9):5420-5430. https://doi.org/10.1021/acs.inorgchem.7b00437

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/148862

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Title: Pressure-Driven Isostructural Phase Transition in InNbO4: In Situ Experimental and Theoretical Investigations
Author: Garg, Alka B. Errandonea, Daniel Popescu, Catalin Martínez-García, Domingo Pellicer Porres, Julio Rodríguez-Hernández, Plácida Muñoz, Alfonso Botella, Pablo Cuenca Gotor, Vanesa Paula Sans-Tresserras, Juan Ángel
UPV Unit: Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
Universitat Politècnica de València. Departamento de Comunicaciones - Departament de Comunicacions
Issued date:
Abstract:
[EN] The high-pressure behavior of technologically important visible-light photocatalytic semiconductor In.NbO4, adopting a monoclinic wolframite-type structure at ambient conditions, was investigated using synchrotron-based ...[+]
Subjects: X-Ray-Diffraction , Initio molecular-dynamics , Total-Energy calculations , Wave basis-set , Ab-Initio , Raman-Scattering , Crystal , Stability , Synchrotron , Efficiency
Copyrigths: Reserva de todos los derechos
Source:
Inorganic Chemistry. (issn: 0020-1669 )
DOI: 10.1021/acs.inorgchem.7b00437
Publisher:
American Chemical Society
Publisher version: https://doi.org/10.1021/acs.inorgchem.7b00437
Description: "This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/page/policy/articlesonrequest/index.html"
Thanks:
This research was supported by the Spanish Ministerio de Economia y Competitividad (MINECO), the Spanish Research Agency (AEI), and the European Fund for Regional Development (FEDER) under Grant Nos. MAT2013-46649-004-01/02/03-P, ...[+]
Type: Artículo

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