2020/08/07 by Tao Xu, Kræn C. Adamsen, Hanne Falsig +4 · 3 citations
Chemical Engineering · Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Anatase #Catalysis #Catalysis and Oxidation Reactions #Catalytic Processes in Materials Science #Chemistry #Computational chemistry #Crystallography #Density functional theory #Materials science #Monomer #Nuclear magnetic resonance #Organic chemistry #Photocatalysis #Physical chemistry #Physics #Polymer #X-ray photoelectron spectroscopy #cond-mat.mtrl-sci #physics.chem-ph
paper · pdf · doi:10.1103/physrevmaterials.4.124004
published in Physical Review Materials 4(12) (American Physical Society)
arxiv created 2020/08/07 · openalex created_date 2020/08/13 · openalex publication_date 2020/12/16 · arxiv updated 2021/01/04 · openalex updated_date 2026/08/05
We combined scanning tunneling microscopy and x-ray photoelectron spectroscopy experiments with density-functional theory calculations to study dispersed tungsta clusters on anatase TiO2(101). Following two different preparation methods, we found that monomeric WO3 species are the most stable configuration rather than WO3 trimers, (WO3)3. The WO3 monomers form tetrahedral WO4 structures on anatase TiO2(101), with one W--O bond and two W--O--Ti linkages per WO3 monomer. Locally, the WO3 monomers form well-ordered (2 \ifmmode×\else\texttimes\fi 1) structures. The discovered geometric structure of WO3 on anatase TiO2(101) opens up numerous opportunities for fundamental studies addressing tungsta and accurate structure-activity studies of WO3/TiO2 model catalysts.