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Polyhydride CeH9 with an atomic-like hydrogen clathrate structure

Author

Listed:
  • Xin Li

    (Jilin University)

  • Xiaoli Huang

    (Jilin University)

  • Defang Duan

    (Jilin University
    University of Cambridge)

  • Chris J. Pickard

    (University of Cambridge)

  • Di Zhou

    (Jilin University)

  • Hui Xie

    (Jilin University)

  • Quan Zhuang

    (Jilin University)

  • Yanping Huang

    (Jilin University)

  • Qiang Zhou

    (Jilin University)

  • Bingbing Liu

    (Jilin University)

  • Tian Cui

    (Jilin University)

Abstract

Compression of hydrogen-rich hydrides has been proposed as an alternative way to attain the atomic metallic hydrogen state or high-temperature superconductors. However, it remains a challenge to get access to these states by synthesizing novel polyhydrides with unusually high hydrogen-to-metal ratios. Here we synthesize a series of cerium (Ce) polyhydrides by a direct reaction of Ce and H2 at high pressures. We discover that cerium polyhydride CeH9, formed above 100 GPa, presents a three-dimensional hydrogen network composed of clathrate H29 cages. The electron localization function together with band structure calculations elucidate the weak electron localization between H-H atoms and confirm its metallic character. By means of Ce atom doping, metallic hydrogen structure can be realized via the existence of CeH9. Particularly, Ce atoms play a positive role to stabilize the sublattice of hydrogen cages similar to the recently discovered near-room-temperature lanthanum hydride superconductors.

Suggested Citation

  • Xin Li & Xiaoli Huang & Defang Duan & Chris J. Pickard & Di Zhou & Hui Xie & Quan Zhuang & Yanping Huang & Qiang Zhou & Bingbing Liu & Tian Cui, 2019. "Polyhydride CeH9 with an atomic-like hydrogen clathrate structure," Nature Communications, Nature, vol. 10(1), pages 1-7, December.
    • Handle: RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-019-11330-6
    DOI: 10.1038/s41467-019-11330-6
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    Cited by:

    1. Jingkai Bi & Yuki Nakamoto & Peiyu Zhang & Katsuya Shimizu & Bo Zou & Hanyu Liu & Mi Zhou & Guangtao Liu & Hongbo Wang & Yanming Ma, 2022. "Giant enhancement of superconducting critical temperature in substitutional alloy (La,Ce)H9," Nature Communications, Nature, vol. 13(1), pages 1-7, December.
    2. Liu-Cheng Chen & Tao Luo & Zi-Yu Cao & Philip Dalladay-Simpson & Ge Huang & Di Peng & Li-Li Zhang & Federico Aiace Gorelli & Guo-Hua Zhong & Hai-Qing Lin & Xiao-Jia Chen, 2024. "Synthesis and superconductivity in yttrium-cerium hydrides at high pressures," Nature Communications, Nature, vol. 15(1), pages 1-7, December.
    3. Wuhao Chen & Xiaoli Huang & Dmitrii V. Semenok & Su Chen & Di Zhou & Kexin Zhang & Artem R. Oganov & Tian Cui, 2023. "Enhancement of superconducting properties in the La–Ce–H system at moderate pressures," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
    4. Dominique Laniel & Florian Trybel & Bjoern Winkler & Florian Knoop & Timofey Fedotenko & Saiana Khandarkhaeva & Alena Aslandukova & Thomas Meier & Stella Chariton & Konstantin Glazyrin & Victor Milman, 2022. "High-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content," Nature Communications, Nature, vol. 13(1), pages 1-9, December.

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