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Cited by 414

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Tuning orbital orientation endows molybdenum disulfide with exceptional alkaline hydrogen evolution capability

Open access
Zang, Yipeng, Niu, Shuwen, Wu, Yishang, Zheng, Xusheng, Cai, Jinyan, Ye, Jian, Xie, Yufang, Liu, Yun, Zhou, Jianbin, Zhu, Junfa, Liu, Xiaojing, Wang, Gongming, Qian, Yitai·2019·Nature Communications

Abstract

Molybdenum disulfide is naturally inert for alkaline hydrogen evolution catalysis, due to its unfavorable water adsorption and dissociation feature originated from the unsuitable orbital orientation. Herein, we successfully endow molybdenum disulfide with exceptional alkaline hydrogen evolution capability by carbon-induced orbital modulation. The prepared carbon doped molybdenum disulfide displays an unprecedented overpotential of 45 mV at 10 mA cm−2, which is substantially lower than 228 mV of the molybdenum disulfide and also represents the best alkaline hydrogen evolution catalytic activity among the ever-reported molybdenum disulfide catalysts. Fine structural analysis indicates the electronic and coordination structures of molybdenum disulfide have been significantly changed with carbon incorporation. Moreover, theoretical calculation further reveals carbon doping could create empty 2p orbitals perpendicular to the basal plane, enabling energetically favorable water adsorption and dissociation. The concept of orbital modulation could offer a unique approach for the rational design of hydrogen evolution catalysts and beyond.

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Metadata

Authors
Zang, Y., Niu, S., Wu, Y., Zheng, X., Cai, J., Ye, J., Xie, Y., Liu, Y., Zhou, J., Zhu, J., Liu, X., Wang, G., & Qian, Y.
Venue
Nature Communications
Published
2019-03-14
Volume
10
Issue
1
Pages
1217-1217
ISSN
2041-1723 (ISSN-L)
OpenAlex
W2922261481
Cited by
414
References
12
FWCI
13.61
Type
journal article
Language
en
Open access
gold

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CoChat. (2026). Citation check: Tuning orbital orientation endows molybdenum disulfide with exceptional alkaline hydrogen evolution capability. https://app.cochat.ai/papers/10.1038/s41467-019-09210-0
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Zang, Y., Niu, S., Wu, Y., Zheng, X., Cai, J., Ye, J., Xie, Y., Liu, Y., Zhou, J., Zhu, J., Liu, X., Wang, G., & Qian, Y. (2019). Tuning orbital orientation endows molybdenum disulfide with exceptional alkaline hydrogen evolution capability. Nature Communications. https://doi.org/10.1038/s41467-019-09210-0

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