Hydrogen Evolution on Restructured B‑Rich WB: Metastable Surface States and Isolated Active Sites

Borides have been recently identified to be a class of earth-abundant and low-cost materials that are surprisingly active toward oxidative dehydrogenation and hydrogen evolution reaction (HER) catalysis. Here, we explain from first-principles calculations the HER activity of WB, an industrial materi...

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Bibliographic Details
Published in:ACS catalysis 2020-12, Vol.10 (23), p.13867-13877
Main Authors: Zhang, Zisheng, Cui, Zhi-Hao, Jimenez-Izal, Elisa, Sautet, Philippe, Alexandrova, Anastassia N
Format: Article
Language:English
Subjects:
adsorption
adsorption configuration
boron
electron density
evolution reactions
Hydrogen evolution reaction
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
surface restructuring
surface states
tungsten boride
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