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Volume 7 Issue 7, July 2024

Active sites revealed

In their work, the authors present a methodology to map the active sites of nanoparticle catalysts via a combination of atomic electron tomography and first-principles-trained machine learning. This allows them to draw structure–activity relationships and propose a local environment descriptor.

See Yang et al.

Image: Yao Yang, Westlake University. Cover design: Alex Whitworth

Research Highlights

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News & Views

  • Unravelling the key parameters that govern the activity of oxygen evolution reaction catalysts is an essential step towards efficient production of green hydrogen. Now, the repulsion between adsorbates on the electrocatalyst surface has been identified as a powerful promoter for the rate-limiting O–O coupling step.

    • Rik V. Mom
    News & Views
  • Aqueous zinc-ion batteries are attractive due to their low cost, environmental friendliness, and exceptional performance, but the latter remains poorly understood. Now, a fast catalytic step involved in oxygen redox catalysis is shown to contribute to capacity at a high rate.

    • Soumyadip Mondal
    • Stefan A. Freunberger
    News & Views
  • There is no doubt that identifying active sites at the atomic scale for designing optimal catalysts is a great challenge. Now, by combining computational and experimental results, an advanced methodology is proposed for understanding the structure–activity relationship at the atomic level.

    • Woong Hee Lee
    News & Views
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Research

  • Iridium oxide is the state-of-the-art catalyst for water oxidation in an acidic electrolyte. Now amorphous and crystalline iridium oxides are studied using operando time-resolved optical spectroscopy, together with other techniques, to reveal the nature and density of active centres and the role of adsorbate–adsorbate interactions.

    • Caiwu Liang
    • Reshma R. Rao
    • Ifan E. L. Stephens
    Article Open Access
  • Electrocatalytic urea formation most commonly involves the co-reduction of NOx species with CO2. This limits overall energy efficiency as commodity-scale NOx is produced from N2 via NH3. The swings in nitrogen oxidation state can be minimized through direct oxidative electrocatalytic reaction of CO and NH3 to urea, as shown in this study.

    • Haocheng Xiong
    • Peiping Yu
    • Qi Lu
    Article
  • Pt-based catalysts are the state of the art for the oxygen reduction reaction. Now the three-dimensional local atomic structure of PtNi and Mo-doped PtNi nanoparticles is revealed via atomic electron tomography, and a local environment descriptor of catalytic activity is put forwards.

    • Yao Yang
    • Jihan Zhou
    • Jianwei Miao
    Article
  • Pt-based catalysts are state-of-the-art cathodes in fuel cells, but they experience a trade-off between activity and durability. Now a Pt nanocatalyst with embedded cobalt oxide clusters is shown to promote stability during proton exchange membrane fuel cell operation without sacrificing activity, achieving 88.2% mass activity retention after 30,000 accelerated stress test cycles.

    • Bosi Peng
    • Zeyan Liu
    • Yu Huang
    Article
  • Mesoscopic mass transport is often ignored but it can influence electrocatalytic processes. This Analysis introduces a simple multi-scale model that couples diffusion to electrochemical surface kinetics and shows how mesoscopic mass transport determines product selectivity through catalyst morphology.

    • Hendrik H. Heenen
    • Hemanth S. Pillai
    • Vanessa J. Bukas
    Analysis Open Access
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