The hinge morphology of SnO2 as multifunctional semiconductor: What we can learn from simulations, theory, and experiments
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Otros documentos de la autoría: Gouveia, Amanda; Aldao, Celso M.; Ponce, Miguel A.; Leite, Edson R.; Longo, Elson; Andres, Juan
Metadatos
Mostrar el registro completo del ítemcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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INVESTIGACIONMetadatos
Título
The hinge morphology of SnO2 as multifunctional semiconductor: What we can learn from simulations, theory, and experimentsAutoría
Fecha de publicación
2023-06-15Editor
ElsevierISSN
0169-4332; 1873-5584Cita bibliográfica
Gouveia, A. F., Aldao, C. M., Ponce, M. A., Leite, E. R., Longo, E., Andrés, J. The hinge morphology of SnO2 as multifunctional semiconductor: What we can learn from simulations, theory, and experiments.Appl. Surf. Sci. 2023, 622, 156904. https://doi.org/10.1016/j.apsusc.2023.156904Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
https://www.sciencedirect.com/science/article/pii/S0169433223005809Versión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
Our interaction with materials occurs through their surfaces whose properties are strongly dependent on morphology, structure, and atomic arrangement. Unfortunately, obtaining a detailed correlation between the surface ... [+]
Our interaction with materials occurs through their surfaces whose properties are strongly dependent on morphology, structure, and atomic arrangement. Unfortunately, obtaining a detailed correlation between the surface morphology with its properties is not straightforward. SnO2 is a multifunctional semiconductor ceramic that is exploited in several technological devices from sensor to energy storage, water splitting, and solar to fuel photocatalysis. This work focused on the structural, energetic, and electronic properties of low and high index surfaces of SnO2 semiconductor and assessed the morphology-dependent process via first-principles calculations, at the density functional theory level. Importantly, our explicitly dynamic approach elucidates the atomic arrangements and stability of the exposed surfaces to provide a close match between experimental field emission scanning electron microscopy images and computational simulation. These findings can potentially set a foundation for establishing synthesis techniques for drive the morphology evolution through the control of temperature/pressure, and/or based on surface interactions of the selective adsorption of solvents/surfactants. [-]
Publicado en
Applied Surface Science, 2023, vol. 622Entidad financiadora
São Paulo Research Foundation (FAPESP) | Generalitat Valenciana | Universitat Jaume I
Código del proyecto o subvención
2013/07296-2 | 2022/08048-1 | CIAPOS/2021/106 | E-2022-05 | UJI-B2019-30 | CIAICO/2021/122
Derechos de acceso
info:eu-repo/semantics/openAccess
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