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Boronat Zaragoza, M.; Corma Canós, A. (2011). Generation of defects on oxide supports by doping with metals and their role in oxygen activation. Catalysis Today. 169(1):52-59. https://doi.org/10.1016/j.cattod.2010.10.061
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/52552
Título: | Generation of defects on oxide supports by doping with metals and their role in oxygen activation | |
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Doping of anatase TiO2 with Au and Fe has been investigated using DFT methods. The geometry distortion,
charge and spin density distribution in the lattice and oxygen vacancy formation energies calculated for
the Au- and ...[+]
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Derechos de uso: | Cerrado | |
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Versión del editor: | http://dx.doi.org/10.1016/j.cattod.2010.10.061 | |
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We thank Consolider-Ingenio-2010 (project MULTICAT) for financial support and Red Espanola de Supercomputacion (RES) and Centre de Calcul de la Universitat de Valencia for computational resources and technical assistance.[+]
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