Structure Model for Anion-Disordered Photochromic Gadolinium Oxyhydride Thin Films

Structure Model for Anion-Disordered Photochromic Gadolinium Oxyhydride Thin Films

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 (REO x H3–2x where 0.5 ≤ x < 1.5). Due to the high degree of anion sublattice disorder present i...

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Veröffentlicht in:Journal of physical chemistry. C 2020-06, Vol.124 (25), p.13541-13549
Hauptverfasser: Colombi, Giorgio, Cornelius, Steffen, Longo, Alessandro, Dam, Bernard
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Sprache:eng
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C: Energy Conversion and Storage
Energy and Charge Transport
Chemical Sciences
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container_end_page 13549
container_issue 25
container_start_page 13541
container_title Journal of physical chemistry. C
container_volume 124
creator Colombi, Giorgio
Cornelius, Steffen
Longo, Alessandro
Dam, Bernard
description 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 (REO x H3–2x 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.
doi_str_mv 10.1021/acs.jpcc.0c02410
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Chemical Sciences
title Structure Model for Anion-Disordered Photochromic Gadolinium Oxyhydride Thin Films
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