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  Enhancement of basal plane electrocatalytic hydrogen evolution activity via joint utilization of trivial and non-trivial surface states

Yang, Q., Le, C., Li, G., Heine, T., Felser, C., & Sun, Y. (2021). Enhancement of basal plane electrocatalytic hydrogen evolution activity via joint utilization of trivial and non-trivial surface states. Applied Materials Today, 22: 100921, pp. 1-8. doi:10.1016/j.apmt.2020.100921.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0007-CE71-2 Version Permalink: http://hdl.handle.net/21.11116/0000-0007-CE76-D
Genre: Journal Article
Alternative Title : Applied Materials Today

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 Creators:
Yang, Qun1, Author              
Le, Congcong1, Author              
Li, Guowei1, Author              
Heine, Thomas2, Author
Felser, Claudia3, Author              
Sun, Yan1, Author              
Affiliations:
1Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
2External Organizations, ou_persistent22              
3Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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Free keywords: Dangling-bonds, Density functional theory, Gibbs free energy, Hydrogen evolution reaction, Topological semimetal, Topological surface states, Binding energy, Dangling bonds, Electrocatalysis, Electrocatalysts, Free energy, Gibbs free energy, Hydrogen, Hydrogen evolution reaction, Layered semiconductors, Molybdenum compounds, Niobium compounds, Surface states, Topology, Transition metals, Basal planes, Binding strength, Electrocatalytic, Hydrogen adsorption, Hydrogen evolution, Non-trivial, Transition metal dichalcogenides, Volcano plots, Gas adsorption
 Abstract: Transition metal dichalcogenide semiconductors, particularly MoS2, are known as promising alternative non-precious hydrogen evolution reaction (HER) electrocatalysts to high-cost Pt. However, their performance is strongly limited by the poor conductivity and lack of active sites in the basal plane. Therefore, it is desirable to find alternatives with active basal plane sites or develop facile strategies to optimize the inert basal plane. In this work, we study the HER over topological semimetal Nb2S2C based on its basal plane. We report the first successful activation and optimization of the basal plane of Nb2S2C by synergistic using trivial surface states (SSs) and nontrivial topological surface states (TSSs). We find that the binding strength towards hydrogen adsorption of the easily cleaved sulfur(S)-terminated Nb2S2C surface can be stronger than that of 2H-MoS2, attributing to the presence of trivial SSs and nontrivial TSSs in Nb2S2C. By creating S vacancy on the basal plane, the binding strength towards hydrogen adsorption can be greatly optimized. The TSSs together with dangling-bonds reduce the Gibbs free energy to 0.31 eV, close to the peak of the volcano plot. This study provides a promising strategy for the joint utilization of the basal plane trivial SSs and TSSs for the HER. © 2020

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Language(s): eng - English
 Dates: 2021-01-122021-01-12
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1016/j.apmt.2020.100921
 Degree: -

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Title: Applied Materials Today
Source Genre: Journal
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Publ. Info: Amsterdam : Elsevier
Pages: - Volume / Issue: 22 Sequence Number: 100921 Start / End Page: 1 - 8 Identifier: ISSN: 2352-9407
CoNE: https://pure.mpg.de/cone/journals/resource/23529407