%0 Journal Article %A Takeiri, Fumitaka %A Watanabe, Akihiro %A Kuwabara, Akihide %A Nawaz, Haq %A Ayu, Nur Ika Puji %A Yonemura, Masao %A Kanno, Ryoji %A Kobayashi, Genki %D 2019 %T Ba2ScHO3: H Conductive Layered Oxyhydride with H Site Selectivity %U https://acs.figshare.com/articles/journal_contribution/Ba_sub_2_sub_ScHO_sub_3_sub_H_sup_sup_Conductive_Layered_Oxyhydride_with_H_sup_sup_Site_Selectivity/7742825 %R 10.1021/acs.inorgchem.8b03593.s001 %2 https://acs.figshare.com/ndownloader/files/14405546 %K perovskite structure %K apical sites %K type structure %K conduction %K hydrogen transport %K neutron diffraction experiments %K BaScO 2 H %K Electrochemical impedance spectra %K K 2 NiF 4 %K powder X-ray %K Ba 2 ScHO 3 %K oxyhydride %K novel electrochemical devices %K Tuning site selectivity %X Hydride (H) conduction is a new frontier related to hydrogen transport in solids. Here, a new H conductive oxyhydride Ba2ScHO3 was successfully synthesized using a high-pressure technique. Powder X-ray and neutron diffraction experiments investigated the fact that Ba2ScHO3 adopts a K2NiF4-type structure with H ions preferentially occupying the apical sites, as supported by theoretical calculations. Electrochemical impedance spectra showed that Ba2ScHO3 exhibited H conduction and a conductivity of 5.2 × 10–6 S cm–1 at 300 °C. This value is much higher than that of BaScO2H, which has an ideal perovskite structure, suggesting the advantage of layered structures for H conduction. Tuning site selectivity of H ions in layered oxyhydrides might be a promising strategy for designing fast H conductors applicable for novel electrochemical devices. %I ACS Publications