Single-phase perovskite oxide with super-exchange induced atomic-scale 
synergistic active centers enables ultrafast hydrogen evolution

Dai, Jie; Zhu, Yinlong; Tahini, Hassan A.; Lin, Qian; Chen, Yu; Guan, Daqin; Zhou, Chuan; Hu, Zhiwei; Lin, Hong-Ji; Chan, Ting-Shan; Chen, Chien-Te; Smith, Sean C.; Wang, Huanting; Zhou, Wei; Shao, Zongping

doi:10.1038/s41467-020-19433-1

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Single-phase perovskite oxide with super-exchange induced atomic-scale synergistic active centers enables ultrafast hydrogen evolution

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Hu, Zhiwei
Zhiwei Hu, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Dai, J., Zhu, Y., Tahini, H. A., Lin, Q., Chen, Y., Guan, D., et al. (2020). Single-phase perovskite oxide with super-exchange induced atomic-scale synergistic active centers enables ultrafast hydrogen evolution. Nature Communications, 11(1): 5657, pp. 1-10. doi:10.1038/s41467-020-19433-1.

Cite as: https://hdl.handle.net/21.11116/0000-0007-7D8E-E

Abstract

The state-of-the-art active HER catalysts in acid media (e.g., Pt) generally lose considerable catalytic performance in alkaline media mainly due to the additional water dissociation step. To address this issue, synergistic hybrid catalysts are always designed by coupling them with metal (hydro)oxides. However, such hybrid systems usually suffer from long reaction path, high cost and complex preparation methods. Here, we discover a single-phase HER catalyst, SrTi0.7Ru0.3O3-δ (STRO) perovskite oxide highlighted with an unusual super-exchange effect, which exhibits excellent HER performance in alkaline media via atomic-scale synergistic active centers. With insights from first-principles calculations, the intrinsically synergistic interplays between multiple active centers in STRO are uncovered to accurately catalyze different elementary steps of alkaline HER; namely, the Ti sites facilitates nearly-barrierless water dissociation, Ru sites function favorably for OH* desorption, and non-metal oxygen sites (i.e., oxygen vacancies/lattice oxygen) promotes optimal H* adsorption and H2 desorption. © 2020, The Author(s).