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  Optimization of catalytic active sites in non-collinear antiferromagnetic Mn3Pt bulk single-crystal

Li, G., Yang, Q., Manna, K., Fu, C., Deniz, H., Jena, J., et al. (2019). Optimization of catalytic active sites in non-collinear antiferromagnetic Mn3Pt bulk single-crystal. Materials Today Physics, 10: 100137. doi:10.1016/j.mtphys.2019.100137.

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https://doi.org/10.1016/j.mtphys.2019.100137 (Publisher version)
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Li, G.1, Author
Yang, Q.1, Author
Manna, K.1, Author
Fu, C.1, Author
Deniz, H.2, Author              
Jena, J.2, Author              
Li, F.2, Author              
Parkin, S.2, Author              
Auffermann, G.1, Author
Sun, Y.1, Author
Felser, C.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Nano-Systems from Ions, Spins and Electrons, Max Planck Institute of Microstructure Physics, Max Planck Society, ou_3287476              

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 Abstract: Electrons in non-collinear antiferromagnets exhibit abundant transfer properties of interest to next-generation innovative devices. As two of the most important properties of electrons, both charge and spin must be simultaneously transferred. This will certainly influence many surface reaction processes like the hydrogen evolution reaction (HER). We grow a Mn3Pt bulk single-crystal that having a room-temperature long-range magnetic order at the Mn sites, which showed Pt-like activity and excellent stability as a catalyst for HER. Experiments and density-functional-theory calculations reveal that the electronic structure can be modified owing to the spin polarization of the Mn atoms. This further affects the adsorption energy of the reaction intermediate by tailoring the arrangement and filling of d-electrons. With this strategy, a similar Gibbs free energy for hydrogen adsorption was obtained between Mn–Mn hollow sites and Pt sites. In other words, more actives sites beyond Pt are created. This study paves the way for the design of high-efficiency electrocatalysts through the interplay between the spin states and the adsorption-desorption behaviors.

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 Dates: 2019-09-242019-08
 Publication Status: Published in print
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 Identifiers: BibTex Citekey: P13839
DOI: 10.1016/j.mtphys.2019.100137
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Title: Materials Today Physics
  Abbreviation : Mater. Today Phys.
Source Genre: Journal
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Publ. Info: Amsterdam, The Netherlands : Elsevier
Pages: - Volume / Issue: 10 Sequence Number: 100137 Start / End Page: - Identifier: ISSN: 2542-5293
CoNE: https://pure.mpg.de/cone/journals/resource/2542-5293