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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:scopusSynthesis, characterization and theoretical calculations of Cu(I) complex of trithiocyanuric acid [Cu(ttc)3]
ArticleAbstract: A new Cu(I) complex constructed by reaction of trithiocyanuric acid (ttc) and copper(II) perchloratePalabras claves:ácido cianúrico, Cálculos DFT, Complejo de coordinación, Complexo de coordenação, Coordinationcomplex, Copperperchlorate, DFT calculations, Perclorato de cobre, TrithiocyanuricacidAutores:Cesar Costa-Vera, César H. Zambrano, Fernández F., Saez-Puche R., Silvia González Pérez, Victor H. Guerrero, 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