Journal of Chemical Physics, volume 150, issue 4, pages 44507
Unexpected calcium polyhydride CaH4: A possible route to dissociation of hydrogen molecules.
Wu Gang
1
,
Huang Xiaoli
1
,
Xie Hui
1
,
Li Xin
1
,
Liu Mingkun
1
,
Liang Yongfu
1
,
Huang Yanping
1
,
Duan Defang
1
,
Li Fangfei
1
,
Liu Bingbing
1
,
Cui Tian
1
Publication type: Journal Article
Publication date: 2019-01-28
Journal:
Journal of Chemical Physics
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 4.4
ISSN: 00219606, 10897690
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Hydrogen-rich compounds provide an efficient route to pre-compressing hydrogen molecules and facilitating the creation of metallic hydrogen at much reduced pressure. Motivated by the long-sought theoretically proposed calcium hydrides, we have performed high-pressure experiments on the Ca–H system in a laser-heated diamond anvil cell. The unconventional compound CaH4 with I4/mmm symmetry has been discovered to be stable above 25.5 GPa. Of particular significance is the crystal structure of CaH4, which has an elongated H2 molecular unit whose intramolecular bond strength changes with pressure. Below the dissociation pressure of pure hydrogen, the elongated H2 unit is likely to dissociate into an atomic one. Our findings indicate that the presence of Ca atoms causes a very positive chemical pre-compression effect to potentially prompt the dissociation of the H2 unit.
Citations by journals
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2 publications, 13.33%
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2 publications, 13.33%
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2 publications, 13.33%
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2 publications, 13.33%
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1 publication, 6.67%
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1 publication, 6.67%
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Frontiers of Physics
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1 publication, 6.67%
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1 publication, 6.67%
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1 publication, 6.67%
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1 publication, 6.67%
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Physical Review Letters
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1 publication, 6.67%
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Citations by publishers
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1
2
3
4
5
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American Chemical Society (ACS)
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American Chemical Society (ACS)
5 publications, 33.33%
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American Physical Society (APS)
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3 publications, 20%
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IOP Publishing
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IOP Publishing
2 publications, 13.33%
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Royal Society of Chemistry (RSC)
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2 publications, 13.33%
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Elsevier
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Elsevier
1 publication, 6.67%
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Springer Nature
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Springer Nature
1 publication, 6.67%
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Wiley
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Wiley
1 publication, 6.67%
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1
2
3
4
5
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Wu G. et al. Unexpected calcium polyhydride CaH4: A possible route to dissociation of hydrogen molecules. // Journal of Chemical Physics. 2019. Vol. 150. No. 4. p. 44507.
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Wu G., Huang X., Xie H., Li X., Liu M., Liang Y., Huang Y., Duan D., Li F., Liu Bingbing, Cui Tian Unexpected calcium polyhydride CaH4: A possible route to dissociation of hydrogen molecules. // Journal of Chemical Physics. 2019. Vol. 150. No. 4. p. 44507.
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TY - JOUR
DO - 10.1063/1.5053650
UR - https://doi.org/10.1063%2F1.5053650
TI - Unexpected calcium polyhydride CaH4: A possible route to dissociation of hydrogen molecules.
T2 - Journal of Chemical Physics
AU - Wu, Gang
AU - Huang, Xiaoli
AU - Xie, Hui
AU - Li, Xin
AU - Liu, Mingkun
AU - Liang, Yongfu
AU - Huang, Yanping
AU - Duan, Defang
AU - Li, Fangfei
AU - Liu Bingbing
AU - Cui Tian
PY - 2019
DA - 2019/01/28 00:00:00
PB - American Institute of Physics (AIP)
SP - 44507
IS - 4
VL - 150
SN - 0021-9606
SN - 1089-7690
ER -
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@article{2019_Wu,
author = {Gang Wu and Xiaoli Huang and Hui Xie and Xin Li and Mingkun Liu and Yongfu Liang and Yanping Huang and Defang Duan and Fangfei Li and Liu Bingbing and Cui Tian},
title = {Unexpected calcium polyhydride CaH4: A possible route to dissociation of hydrogen molecules.},
journal = {Journal of Chemical Physics},
year = {2019},
volume = {150},
publisher = {American Institute of Physics (AIP)},
month = {jan},
url = {https://doi.org/10.1063%2F1.5053650},
number = {4},
pages = {44507},
doi = {10.1063/1.5053650}
}
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Wu, Gang, et al. “Unexpected calcium polyhydride CaH4: A possible route to dissociation of hydrogen molecules..” Journal of Chemical Physics, vol. 150, no. 4, Jan. 2019, p. 44507. https://doi.org/10.1063%2F1.5053650.
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