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Optimization of Catalytic Active Sites in Noncollinear Antiferromagnetic Mn₃Pt Bulk Single-Crystal

22 Pages Posted: 16 Jul 2019 Sneak Peek Status: Review Complete

See all articles by Guowei LI

Guowei LI

Max Planck Institute for Chemical Physics of Solids

Qun Yang

Max Planck Institute for Chemical Physics of Solids

Kaustuv Manna

Max Planck Institute for Chemical Physics of Solids

Chenguang Fu

Max Planck Institute for Chemical Physics of Solids

Hakan Deniz

Max Planck Institute of Microstructure Physics

Jagannath Jena

Max Planck Institute of Microstructure Physics

Stuart Parkin

Max Planck Institute of Microstructure Physics

Gudrun Auffermann

Max Planck Institute for Chemical Physics of Solids

Yan Sun

Max Planck Institute for Chemical Physics of Solids

Claudia Felser

Max Planck Institute for Chemical Physics of Solids

More...

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.

Keywords: noncollinear antiferromagnetic, Mn3Pt, spin polarization, electrocatalyst, Hydrogen Evolution

Suggested Citation

LI, Guowei and Yang, Qun and Manna, Kaustuv and Fu, Chenguang and Deniz, Hakan and Jena, Jagannath and Parkin, Stuart and Auffermann, Gudrun and Sun, Yan and Felser, Claudia, Optimization of Catalytic Active Sites in Noncollinear Antiferromagnetic Mn₃Pt Bulk Single-Crystal (July 16, 2019). JOULE-D-19-00567. Available at SSRN: https://ssrn.com/abstract=3420373 or http://dx.doi.org/10.2139/ssrn.3420373
This is a paper under consideration at Cell Press and has not been peer-reviewed.

Guowei LI (Contact Author)

Max Planck Institute for Chemical Physics of Solids ( email )

Germany

Qun Yang

Max Planck Institute for Chemical Physics of Solids

Germany

Kaustuv Manna

Max Planck Institute for Chemical Physics of Solids ( email )

Germany

Chenguang Fu

Max Planck Institute for Chemical Physics of Solids ( email )

Germany

Hakan Deniz

Max Planck Institute of Microstructure Physics ( email )

Weinberg 2
06120 Halle (Saale)
Germany

Jagannath Jena

Max Planck Institute of Microstructure Physics ( email )

Weinberg 2
06120 Halle (Saale)
Germany

Stuart Parkin

Max Planck Institute of Microstructure Physics ( email )

Weinberg 2
06120 Halle (Saale)
Germany

Gudrun Auffermann

Max Planck Institute for Chemical Physics of Solids ( email )

Germany

Yan Sun

Max Planck Institute for Chemical Physics of Solids

Germany

Claudia Felser

Max Planck Institute for Chemical Physics of Solids ( email )

Germany

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