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Ba2ScHO3: H– Conductive Layered Oxyhydride with H– Site Selectivity
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2019-02-20 00:00:00 , DOI: 10.1021/acs.inorgchem.8b03593 Fumitaka Takeiri 1, 2 , Akihiro Watanabe 1, 3 , Akihide Kuwabara 4 , Haq Nawaz 1, 2 , Nur Ika Puji Ayu 5 , Masao Yonemura 5 , Ryoji Kanno 6 , Genki Kobayashi 1, 2
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2019-02-20 00:00:00 , DOI: 10.1021/acs.inorgchem.8b03593 Fumitaka Takeiri 1, 2 , Akihiro Watanabe 1, 3 , Akihide Kuwabara 4 , Haq Nawaz 1, 2 , Nur Ika Puji Ayu 5 , Masao Yonemura 5 , Ryoji Kanno 6 , Genki Kobayashi 1, 2
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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.
中文翻译：
Ba 2 ScHO 3：H –具有H的导电层状氧化物–位置选择性
氢化物（H - ）传导是与在固体氢运输的新领域。在此，新的H -导电oxyhydride的Ba 2 SCHO 3是使用高压技术成功地合成。粉末X射线和中子衍射实验研究了巴的事实2 SCHO 3采用A K 2 NIF 4用H型结构-离子优先占据心尖位点，通过理论计算所支持。电化学阻抗光谱表明的Ba 2 SCHO 3表现出ħ -传导和5.2×10的电导率-6S cm –1在300°C时。这个值比巴斯科的高得多的2 H，其具有理想的钙钛矿型结构，这表明分层结构的用于h的优点-传导。h的调整部位选择性-层状oxyhydrides离子可能是设计的高速H有希望的策略-适用于新型电化学设备导体。
更新日期：2019-02-20
中文翻译：
Ba 2 ScHO 3：H –具有H的导电层状氧化物–位置选择性
氢化物（H - ）传导是与在固体氢运输的新领域。在此，新的H -导电oxyhydride的Ba 2 SCHO 3是使用高压技术成功地合成。粉末X射线和中子衍射实验研究了巴的事实2 SCHO 3采用A K 2 NIF 4用H型结构-离子优先占据心尖位点，通过理论计算所支持。电化学阻抗光谱表明的Ba 2 SCHO 3表现出ħ -传导和5.2×10的电导率-6S cm –1在300°C时。这个值比巴斯科的高得多的2 H，其具有理想的钙钛矿型结构，这表明分层结构的用于h的优点-传导。h的调整部位选择性-层状oxyhydrides离子可能是设计的高速H有希望的策略-适用于新型电化学设备导体。
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