Cargando…

Identifying and rationalizing the morphological, structural, and optical properties of [Image: see text]-Ag(2)MoO(4) microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations

We present a combined theoretical and experimental study on the morphological, structural, and optical properties of β-Ag(2)MoO(4) microcrystals. β-Ag(2)MoO(4) samples were prepared by a co-precipitation method. The nucleation and formation of Ag nanoparticles on β-Ag(2)MoO(4) during electron beam i...

Descripción completa

Detalles Bibliográficos
Autores principales: Fabbro, Maria T, Saliby, Carla, Rios, Larissa R, La Porta, Felipe A, Gracia, Lourdes, Li, Máximo S, Andrés, Juan, Santos, Luís P S, Longo, Elson
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Taylor & Francis 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5069988/
https://www.ncbi.nlm.nih.gov/pubmed/27877844
http://dx.doi.org/10.1088/1468-6996/16/6/065002
_version_ 1782461049053642752
author Fabbro, Maria T
Saliby, Carla
Rios, Larissa R
La Porta, Felipe A
Gracia, Lourdes
Li, Máximo S
Andrés, Juan
Santos, Luís P S
Longo, Elson
author_facet Fabbro, Maria T
Saliby, Carla
Rios, Larissa R
La Porta, Felipe A
Gracia, Lourdes
Li, Máximo S
Andrés, Juan
Santos, Luís P S
Longo, Elson
author_sort Fabbro, Maria T
collection PubMed
description We present a combined theoretical and experimental study on the morphological, structural, and optical properties of β-Ag(2)MoO(4) microcrystals. β-Ag(2)MoO(4) samples were prepared by a co-precipitation method. The nucleation and formation of Ag nanoparticles on β-Ag(2)MoO(4) during electron beam irradiation were also analyzed as a function of electron beam dose. These events were directly monitored in real-time using in situ field emission scanning electron microscopy (FE-SEM). The thermodynamic equilibrium shape of the β-Ag(2)MoO(4) crystals was built with low-index surfaces (001), (011), and (111) through a Wulff construction. This shape suggests that the (011) face is the dominating surface in the ideal morphology. A significant increase in the values of the surface energy for the (011) face versus those of the other surfaces was observed, which allowed us to find agreement between the experimental and theoretical morphologies. Our investigation of the different morphologies and structures of the β-Ag(2)MoO(4) crystals provided insight into how the crystal morphology can be controlled so that the surface chemistry of β-Ag(2)MoO(4) can be tuned for specific applications. The presence of structural disorder in the tetrahedral [MoO(4)] and octahedral [AgO(6)] clusters, the building blocks of β-Ag(2)MoO(4), was used to explain the experimentally measured optical properties.
format Online
Article
Text
id pubmed-5069988
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher Taylor & Francis
record_format MEDLINE/PubMed
spelling pubmed-50699882016-11-22 Identifying and rationalizing the morphological, structural, and optical properties of [Image: see text]-Ag(2)MoO(4) microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations Fabbro, Maria T Saliby, Carla Rios, Larissa R La Porta, Felipe A Gracia, Lourdes Li, Máximo S Andrés, Juan Santos, Luís P S Longo, Elson Sci Technol Adv Mater Papers We present a combined theoretical and experimental study on the morphological, structural, and optical properties of β-Ag(2)MoO(4) microcrystals. β-Ag(2)MoO(4) samples were prepared by a co-precipitation method. The nucleation and formation of Ag nanoparticles on β-Ag(2)MoO(4) during electron beam irradiation were also analyzed as a function of electron beam dose. These events were directly monitored in real-time using in situ field emission scanning electron microscopy (FE-SEM). The thermodynamic equilibrium shape of the β-Ag(2)MoO(4) crystals was built with low-index surfaces (001), (011), and (111) through a Wulff construction. This shape suggests that the (011) face is the dominating surface in the ideal morphology. A significant increase in the values of the surface energy for the (011) face versus those of the other surfaces was observed, which allowed us to find agreement between the experimental and theoretical morphologies. Our investigation of the different morphologies and structures of the β-Ag(2)MoO(4) crystals provided insight into how the crystal morphology can be controlled so that the surface chemistry of β-Ag(2)MoO(4) can be tuned for specific applications. The presence of structural disorder in the tetrahedral [MoO(4)] and octahedral [AgO(6)] clusters, the building blocks of β-Ag(2)MoO(4), was used to explain the experimentally measured optical properties. Taylor & Francis 2015-11-05 /pmc/articles/PMC5069988/ /pubmed/27877844 http://dx.doi.org/10.1088/1468-6996/16/6/065002 Text en © 2015 National Institute for Materials Science http://creativecommons.org/licenses/by/3.0/ Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence (http://creativecommons.org/licenses/by/3.0) . Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
spellingShingle Papers
Fabbro, Maria T
Saliby, Carla
Rios, Larissa R
La Porta, Felipe A
Gracia, Lourdes
Li, Máximo S
Andrés, Juan
Santos, Luís P S
Longo, Elson
Identifying and rationalizing the morphological, structural, and optical properties of [Image: see text]-Ag(2)MoO(4) microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations
title Identifying and rationalizing the morphological, structural, and optical properties of [Image: see text]-Ag(2)MoO(4) microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations
title_full Identifying and rationalizing the morphological, structural, and optical properties of [Image: see text]-Ag(2)MoO(4) microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations
title_fullStr Identifying and rationalizing the morphological, structural, and optical properties of [Image: see text]-Ag(2)MoO(4) microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations
title_full_unstemmed Identifying and rationalizing the morphological, structural, and optical properties of [Image: see text]-Ag(2)MoO(4) microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations
title_short Identifying and rationalizing the morphological, structural, and optical properties of [Image: see text]-Ag(2)MoO(4) microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations
title_sort identifying and rationalizing the morphological, structural, and optical properties of [image: see text]-ag(2)moo(4) microcrystals, and the formation process of ag nanoparticles on their surfaces: combining experimental data and first-principles calculations
topic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5069988/
https://www.ncbi.nlm.nih.gov/pubmed/27877844
http://dx.doi.org/10.1088/1468-6996/16/6/065002
work_keys_str_mv AT fabbromariat identifyingandrationalizingthemorphologicalstructuralandopticalpropertiesofimageseetextag2moo4microcrystalsandtheformationprocessofagnanoparticlesontheirsurfacescombiningexperimentaldataandfirstprinciplescalculations
AT salibycarla identifyingandrationalizingthemorphologicalstructuralandopticalpropertiesofimageseetextag2moo4microcrystalsandtheformationprocessofagnanoparticlesontheirsurfacescombiningexperimentaldataandfirstprinciplescalculations
AT rioslarissar identifyingandrationalizingthemorphologicalstructuralandopticalpropertiesofimageseetextag2moo4microcrystalsandtheformationprocessofagnanoparticlesontheirsurfacescombiningexperimentaldataandfirstprinciplescalculations
AT laportafelipea identifyingandrationalizingthemorphologicalstructuralandopticalpropertiesofimageseetextag2moo4microcrystalsandtheformationprocessofagnanoparticlesontheirsurfacescombiningexperimentaldataandfirstprinciplescalculations
AT gracialourdes identifyingandrationalizingthemorphologicalstructuralandopticalpropertiesofimageseetextag2moo4microcrystalsandtheformationprocessofagnanoparticlesontheirsurfacescombiningexperimentaldataandfirstprinciplescalculations
AT limaximos identifyingandrationalizingthemorphologicalstructuralandopticalpropertiesofimageseetextag2moo4microcrystalsandtheformationprocessofagnanoparticlesontheirsurfacescombiningexperimentaldataandfirstprinciplescalculations
AT andresjuan identifyingandrationalizingthemorphologicalstructuralandopticalpropertiesofimageseetextag2moo4microcrystalsandtheformationprocessofagnanoparticlesontheirsurfacescombiningexperimentaldataandfirstprinciplescalculations
AT santosluisps identifyingandrationalizingthemorphologicalstructuralandopticalpropertiesofimageseetextag2moo4microcrystalsandtheformationprocessofagnanoparticlesontheirsurfacescombiningexperimentaldataandfirstprinciplescalculations
AT longoelson identifyingandrationalizingthemorphologicalstructuralandopticalpropertiesofimageseetextag2moo4microcrystalsandtheformationprocessofagnanoparticlesontheirsurfacescombiningexperimentaldataandfirstprinciplescalculations