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Open access
Nature Communications, volume 10, issue 1, publication number 3461

Polyhydride CeH9 with an atomic-like hydrogen clathrate structure

Publication typeJournal Article
Publication date2019-08-01
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor16.6
ISSN20411723
General Chemistry
General Biochemistry, Genetics and Molecular Biology
General Physics and Astronomy
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. Obtainment of hydrogen-rich metal hydrides that are high-temperature superconductors has been demonstrated under very high pressure, but is still largely unexplored. Here the authors synthesize CeH9, with a structure related to solid metallic hydrogen, at relatively low pressure and without need for heating.

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GOST Copy
Li X. et al. Polyhydride CeH9 with an atomic-like hydrogen clathrate structure // Nature Communications. 2019. Vol. 10. No. 1. 3461
GOST all authors (up to 50) Copy
Li X., Huang X., Duan D., Pickard C. J., Zhou D., Xie H., Zhuang Q., Huang Y., Zhou Q., Bingbing L., Tian C. Polyhydride CeH9 with an atomic-like hydrogen clathrate structure // Nature Communications. 2019. Vol. 10. No. 1. 3461
RIS |
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RIS Copy
TY - JOUR
DO - 10.1038/s41467-019-11330-6
UR - https://doi.org/10.1038%2Fs41467-019-11330-6
TI - Polyhydride CeH9 with an atomic-like hydrogen clathrate structure
T2 - Nature Communications
AU - Li, Xin
AU - Huang, Xiaoli
AU - Duan, Defang
AU - Pickard, C. J.
AU - Zhou, Di
AU - Xie, Hui
AU - Zhuang, Quan
AU - Huang, Yanping
AU - Zhou, Qiang
AU - Bingbing, LIU
AU - Tian, Cui
PY - 2019
DA - 2019/08/01 00:00:00
PB - Springer Nature
IS - 1
VL - 10
PMID - 31371729
SN - 2041-1723
ER -
BibTex
Cite this
BibTex Copy
@article{2019_Li,
author = {Xin Li and Xiaoli Huang and Defang Duan and C. J. Pickard and Di Zhou and Hui Xie and Quan Zhuang and Yanping Huang and Qiang Zhou and LIU Bingbing and Cui Tian},
title = {Polyhydride CeH9 with an atomic-like hydrogen clathrate structure},
journal = {Nature Communications},
year = {2019},
volume = {10},
publisher = {Springer Nature},
month = {aug},
url = {https://doi.org/10.1038%2Fs41467-019-11330-6},
number = {1},
doi = {10.1038/s41467-019-11330-6}
}
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