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La<sup>3+</sup>’s Effect on the Surface (101) of Anatase for Methylene Blue Dye Removal, a DFT Study
ArticleAbstract: Density functional theory (DFT) is a widely used method for studying matter at the quantum level. InPalabras claves:Adsorption, Anatase, DFT calculations, lanthanum, Methylene blueAutores:Eduardo Valarezo, Sneyder Gaona, Ximena V. Jaramillo-FierroFuentes:scopus[Cu(C3H3N3S3)3] Adsorption onto ZnTiO3/TiO2 for Coordination‐Complex Sensitized Photochemical Applications
ArticleAbstract: Currently, the design of highly efficient materials for photochemical applications remains a challenPalabras claves:adsorp-tion, coordination‐polymers, DFT, photocatalysis, Photosensitization, SemiconductorsAutores:Karol Hernández, Silvia González Pérez, Ximena V. Jaramillo-FierroFuentes:scopusThe Effect of La<sup>3+</sup> on the Methylene Blue Dye Removal Capacity of the La/ZnTiO<inf>3</inf> Photocatalyst, a DFT Study
ArticleAbstract: Theoretically, lanthanum can bond with surface oxygens of ZnTiO3 to form La-O-Ti bonds, resulting inPalabras claves:adsorption mechanism, DFT calculations, lanthanum doping, photocatalytic materials, pollutant degradationAutores:Guisella Cuenca, John Ramón, Ximena V. Jaramillo-FierroFuentes:scopus