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  Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts

Zegkinoglou, I., Zendegani, A., Sinev, I., Kunze, S., Mistry, H., Jeon, H. S., et al. (2017). Operando Phonon Studies of the Protonation Mechanism in Highly Active Hydrogen Evolution Reaction Pentlandite Catalysts. Journal of the American Chemical Society, 139(41), 14360-14363. doi:10.1021/jacs.7b07902.

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Zegkinoglou, Ioannis1, Autor           
Zendegani, Ali2, Autor           
Sinev, Ilya3, Autor           
Kunze, Sebastian3, Autor           
Mistry, Hemma3, 4, Autor           
Jeon, Hyo Sang3, Autor           
Zhao, Jiyong5, Autor           
Hu, Michael Y.5, Autor           
Alp, E. Ercan5, Autor           
Piontek, Stefan6, Autor           
Smialkowski, Mathias6, Autor           
Apfel, Ulf-Peter6, Autor           
Körmann, Fritz2, Autor           
Neugebauer, Jörg7, Autor           
Hickel, Tilmann2, Autor           
Roldan Cuenya, Beatriz3, 8, Autor           
Affiliations:
1Department of Physics, Ruhr-University Bochum, Germany, persistent22              
2Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341              
3Department of Physics, Ruhr-University Bochum, 44780 Bochum, Germany, persistent22              
4Department of Physics, University of Central Florida, Orlando, Florida 32816, USA, persistent22              
5Advanced Photon Source, Argonne National Laboratory, Lemont, Illinois 60439, USA, persistent22              
6Inorganic Chemistry I, Ruhr-University Bochum, 44780 Bochum, Germany, persistent22              
7Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              
8Interface Science, Fritz Haber Institute, Max Planck Society, ou_2461712              

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 Zusammenfassung: Synthetic pentlandite (Fe4.5Ni4.5S8) is a promising.electrocatalyst for hydrogen evolution, demonstrating high current densities, low overpotential and remarkable stability in bulk form. The depletion of sulfur from the surface of this catalyst during the electrochemical reaction has been proposed to be beneficial for its catalytic performance, but the role of sulfur vacancies and the mechanism determining the reaction kinetics are still unknown. We have performed electrochemical operando studies of the vibrational dynamics of pentlandite under hydrogen evolution reaction conditions using 57Fe nuclear resonant inelastic Xray scattering. Comparing the measured partial (Feprojected) vibrational density of states with density functional theory calculations, we have demonstrated that hydrogen atoms preferentially occupy substitutional positions replacing pre-existing sulfur vacancies. Once all vacancies are filled, the protonation proceeds interstitially, which slows down the reaction. Our results highlight the beneficial role of sulfur vacancies in the electrocatalytic performance of pentlandite and give insights into the hydrogen adsorption mechanism during the reaction.

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Sprache(n): eng - English
 Datum: 2017-07-272017-09-222017-10-18
 Publikationsstatus: Erschienen
 Seiten: 4
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1021/jacs.7b07902
 Art des Abschluß: -

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Titel: Journal of the American Chemical Society
  Andere : J. Am. Chem. Soc.
  Kurztitel : JACS
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: Washington, DC : American Chemical Society
Seiten: 4 Band / Heft: 139 (41) Artikelnummer: - Start- / Endseite: 14360 - 14363 Identifikator: ISSN: 0002-7863
CoNE: https://pure.mpg.de/cone/journals/resource/954925376870