First principles studies of noble metal (Au, Ag, Pt, Pd) multicomponent nanoclusters supported on Anatase TiO2 (101) surface

Recently, TiO2-based Multicomponent Nanomaterials (TiO2-MCNMs) have gained significant interest as photocatalytic materials. Therefore, theoretical and computational studies of the energetic descriptors are crucial to understanding the mechanisms involved. In the present work, we analyzed the electr...

• Hoofdauteur: Cedeño Manrique, Melanie Alexandra (author)
• Formaat: bachelorThesis
• Taal: eng
• Gepubliceerd in: 2024
• Onderwerpen: Teoría del Funcional de Densidad; Método de enlace fuerte; Clústeres multicomponentes; Density-functional theory; Adsorption; Multicomponent clusters
• Online toegang: http://repositorio.yachaytech.edu.ec/handle/123456789/824