Within this chapter we have tried to highlight the importance, versatility and potential of ceria-based materials. We have seen how it is possible to tailor its properties modifying the synthesis process. Moreover, ceria applications range a variety of fi
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November 27, 2014 (v1)PublicationUploaded on: March 25, 2023
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November 30, 2016 (v1)Publication
Density functional theory (DFT) based approaches within the local-density approximation or generalized gradient approximation frameworks fail to predict the correct electron localization in strongly correlated systems due to the lack of cancellation of the Coulomb self-interaction. This problem might be circumvented either by using hybrid...
Uploaded on: December 4, 2022 -
June 16, 2017 (v1)Publication
Because of the different components that constitute a quantum dots solar cells, QDSCs, and the difficulty of experimentally isolate the effect of each of them on the adsorption spectra of the system, we have modeled different Cu2S QDSCs models by means of DFT. A bottom-up approach can differentiate the effect of each component in the...
Uploaded on: March 27, 2023 -
June 3, 2022 (v1)Publication
Experimental techniques and DFT calculations have been combined to study and compare the effect of the metal-substrate interaction in Cu/TiO2(110) and Cu/CeOx/TiO2(110) catalysts for the water-gas shift (WGS) reaction. Experiments and theory show that CeOx nanoparticles affect the dispersion of copper on titania, and on the formed copper-ceria...
Uploaded on: December 4, 2022 -
April 27, 2020 (v1)Publication
The structural and electronic properties of CeOx species supported on the rutile TiO2 110 surface have been examined by means of periodic density-functional calculations that use a generalized gradient approximation functional including a Hubbard-like type correction. Deposition of Ce atoms leads in a first step to Ce3+ ions bound to the...
Uploaded on: March 27, 2023 -
February 21, 2024 (v1)Publication
Este proyecto se basa en el uso del podcasting como herramienta de innovación docente, junto con la evaluación de los conocimientos adquiridos por el alumnado. Particularmente, se empleará la plataforma Spotify, donde se podrá reproducir, descargar y compartir audios de todo el contenido que se genere en la asignatura donde se implementará este...
Uploaded on: February 23, 2024 -
May 26, 2023 (v1)Publication
Chalcopyrite-structured semiconductors have promising potential as low-cost thermoelectric materials, but their thermoelectric figures of merit must be increased for practical applications. Understanding their thermal properties is important for engineering their thermal conductivities and achieving better thermoelectric behavior. We present...
Uploaded on: May 27, 2023 -
November 30, 2021 (v1)Publication
Ultrahigh-temperature ceramics (UHTCs) are a group of materials with high technological interest because of their applications in extreme environments. However, their characterization at high temperatures represents the main obstacle for their fast development. Obstacles are found from an experimental point of view, where only few laboratories...
Uploaded on: March 25, 2023 -
September 5, 2018 (v1)Publication
In the last ten years, there has been an acceleration in the pace at which new catalysts for the watergas shift reaction are designed and synthesized. Pt-based catalysts remain the best solution when only activity is considered. However, cost, operation temperature, and deactivation phenomena are important variables when these catalysts are...
Uploaded on: March 27, 2023 -
September 2, 2020 (v1)Publication
Ceria‐titania interfaces play a crucial role in different chemical processes but are especially promising for the photocatalytic splitting of water using light in the visible wavelength region when Pt is added to the system. However, the complexity of this hierarchical structure hampers the study of the origin of its outstanding properties. In...
Uploaded on: March 27, 2023 -
March 21, 2017 (v1)Publication
Experimental catalytic activity measurements, Diffuse Reflectance Infrared Fourier Spectroscopy, and Density Functional Theory calculations are used to investigate the role and dynamics of surface oxygen vacancies in the CO oxidation with O2 catalyzed by Au nanoparticles supported on a Y-doped TiO2 catalyst. Catalytic activity measurements...
Uploaded on: December 5, 2022 -
February 5, 2019 (v1)Publication
A series of titanium oxide catalysts modified with yttrium has been prepared by sol¿gel method and their structural properties have been studied. The incorporation of yttrium in the titania lattice favors the formation of oxygen vacancies while at low Y loadings the anatase structure is preserved. The catalytic activity of these solids for CO...
Uploaded on: March 27, 2023