In oxides, the substitution of non-oxide anions (F−,S2−,N3− and so on) for oxide introduces many properties, but the least commonly encountered substitution is where the hydride anion (H−) replaces oxygen to form an oxyhydride. Only a handful of oxyhydrides have been reported, mainly with electropositive main group elements1,2,3,4,5 or as layered cobalt oxides with unusually low oxidation states6,7. Here, we present an oxyhydride of the perhaps most well-known perovskite, BaTiO3, as an O2−/H− solid solution with hydride concentrations up to 20% of the anion sites. BaTiO3−xHx is electronically conducting, and stable in air and water at ambient conditions. Furthermore, the hydride species is exchangeable with hydrogen gas at 400 °C. Such an exchange implies diffusion of hydride, and interesting diffusion mechanisms specific to hydrogen may be at play. Moreover, such a labile anion in an oxide framework should be useful in further expanding the mixed-anion chemistry of the solid state.
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We thank S. Mitsuoka, H. Ohkubo, F. Takeiri, K. Ohoyama, W. Paulus, M. Takata and T. Nishiyama for assistance with various aspects. This work was supported by the Japan Society for the Promotion of Science (JSPS) through its ‘Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST) Program’; Grant-in-Aid for Science Research in the Priority Areas (No. 19052004); and Grant-in-Aid for Scientific Research (A) (No. 22245009) from the Ministry of Education, Culture, Sports, Science and Technology of Japan. Y.T. and A.K. were supported by JSPS Research Fellowships for Young Scientists.
The authors declare no competing financial interests.
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Kobayashi, Y., Hernandez, O., Sakaguchi, T. et al. An oxyhydride of BaTiO3 exhibiting hydride exchange and electronic conductivity. Nature Mater 11, 507–511 (2012) doi:10.1038/nmat3302
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