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Showing 1–7 of 7 results
Advanced filters: Author: Christoph Scheurer Clear advanced filters

  • The selective hydrogenation of trace acetylene to ethylene is a well-established process for purifying fossil-derived ethylene streams. Here, the authors present a self-repairing Pd-C laterally condensed catalyst that improves selectivity, prevents sub-surface hydride formation, and achieves high ethylene productivity, effectively bridging the gap between powder catalysts and single-crystal model catalysts.

    • Zehua Li
    • Eylül Öztuna
    • Robert Schlögl
    ResearchOpen Access
    Nature Communications
    Volume: 15, P: 1-13

  • Heterogeneous catalysts are often dynamic under operation. Now, the mechanism of CH4 dry reforming on Ni is studied by in situ microscopy and spectroscopy, revealing the formation of metastable surface nickel–oxygen structures from CO2 dissociation that exhibit different catalytic properties and induce rate oscillations.

    • Luis Sandoval-Diaz
    • Daniel Cruz
    • Thomas Lunkenbein
    ResearchOpen Access
    Nature Catalysis
    Volume: 7, P: 161-171

  • Studies based on correlated operando characterization techniques reveal the coexistence of copper metal, oxide and hydroxide phases during the electrochemical reduction of nitrates to ammonia, providing insights into electrocatalyst evolution during reaction and related catalytic performance.

    • Aram Yoon
    • Lichen Bai
    • Beatriz Roldan Cuenya
    ResearchOpen Access
    Nature Materials
    Volume: 24, P: 762-769

  • Uses of machine learning and automation are increasing and these techniques are becoming popular in catalysis research. This Perspective discusses how active learning workflows and human intervention should be optimized to ensure the most efficient progress for emerging self-driving laboratories performing heterogeneous catalysis research.

    • Christoph Scheurer
    • Karsten Reuter
    Reviews
    Nature Catalysis
    Volume: 8, P: 13-19

  • The integration of quantum chemistry and molecular dynamics programs coupled with a graphical user interface provides a streamlined tool for powerful simulations of biomolecular reaction mechanisms.

    • Marcelo C R Melo
    • Rafael C Bernardi
    • Zaida Luthey-Schulten
    Research
    Nature Methods
    Volume: 15, P: 351-354

  • Reaction networks provide complete mechanistic understanding of catalytic processes, although they can be highly complex and thus very challenging to obtain. This Perspective discusses the use of machine learning for the exploration of reaction networks in heterogeneous catalysis.

    • Johannes T. Margraf
    • Hyunwook Jung
    • Karsten Reuter
    Reviews
    Nature Catalysis
    Volume: 6, P: 112-121

  • The surface chemistries of electrode materials strongly influence their faradaic and non-faradaic properties. Here, the anode material Li4Ti5O12 is probed in the presence of different electrolytes, and surface polarons are suggested to enable a Li ion equilibrium between the bulk and the electrolyte, explaining the role of defects for intercalative pseudocapacity and fast charging properties in this material.

    • P. Philipp M. Schleker
    • Cristina Grosu
    • Josef Granwehr
    ResearchOpen Access
    Communications Chemistry
    Volume: 6, P: 1-7