Print Email Facebook Twitter Structure Model for Anion-Disordered Photochromic Gadolinium Oxyhydride Thin Films Title Structure Model for Anion-Disordered Photochromic Gadolinium Oxyhydride Thin Films Author Colombi, G. (TU Delft ChemE/Materials for Energy Conversion and Storage) Cornelius, S. (TU Delft ChemE/Materials for Energy Conversion and Storage) Longo, Alessandro (European Synchrotron Radiation Facility; Instituto per lo Studio dei Materiali Nanostrutturati) Dam, B. (TU Delft ChemE/Materials for Energy Conversion and Storage) Date 2020 Abstract Rare-earth (RE) oxyhydride thin films prepared by reactive magnetron sputtering followed by air-oxidation show a color-neutral photochromic effect at ambient conditions within a wide composition range (REOxH3-2x where 0.5 ≤ x < 1.5). Due to the high degree of anion sublattice disorder present in these thin films, the structure models proposed for the related bulk materials are not directly applicable. Instead we use a combination of EXAFS analysis and lattice energy calculations to establish a fcc-based model linking the oxyhydrides to the related binary compounds. The oxide anions are found to occupy predominantly the tetrahedral sites in the fcc structure, which is attributed to electrostatic lattice energy minimization. To reference this document use: http://resolver.tudelft.nl/uuid:7f28cc4e-f836-4c83-b4df-1d0f92eb1cd4 DOI https://doi.org/10.1021/acs.jpcc.0c02410 ISSN 1932-7447 Source The Journal of Physical Chemistry C, 124 (25), 13541-13549 Part of collection Institutional Repository Document type journal article Rights © 2020 G. Colombi, S. Cornelius, Alessandro Longo, B. Dam Files PDF acs.jpcc.0c02410.pdf 4.36 MB Close viewer /islandora/object/uuid:7f28cc4e-f836-4c83-b4df-1d0f92eb1cd4/datastream/OBJ/view