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While Ru-based electrocatalysts are among the most active for acidic water oxidation, they suffer from severe deactivation. Now, Yuen Wu, Wei-Xue Li and co-workers report a core–shell Ru₁–Pt₃Cu catalyst with surface-dispersed Ru atoms for a highly active and stable oxygen evolution reaction in acid electrolyte.

Anode catalysts in proton-exchange-membrane water electrolyzers usually trade activity for stability. Here, the authors report an electronic-structure-tuning strategy that modulates the metal–oxygen redox behavior of RuO₂, yielding a catalyst that is both highly active and durable.

Subnanometer metal clusters are limited by structural heterogeneity and dynamics under reaction conditions. Here, AI-driven multiscale modeling reveals collective activity of diverse Cu/CeO₂ sites via coordination-adsorption balance.

Achieving long-term catalyst stability remains a grand challenge in catalysis. A recent study combines neural-network potential-based molecular dynamics simulations with decision tree-based interpretable machine learning, unveiling crucial support properties that guide the rational design of sinter-resistant platinum catalysts.

Atomically intimate assembly of FeO_x-Rh-ZrO₂ dual interfaces by selectively architecting highly dispersed FeO_x on ultrafine raft-like Rh clusters supported on tetragonal zirconia enables highly efficient tandem conversion of syngas to ethanol.

Synergizing metal–support interactions and spatial confinement through atomic copper grippers boost the dynamics of highly loaded atomic nickel for high activity, high thermal/chemical stability and unprecedented coke inhibition in hydrogenation reactions.

Designing high performing low-cost nanomaterials for catalyzing hydrogen evolution reaction (HER) remains challenging. Here, the authors report a volcano-shape correlation between HER activity and cobalt atomic configuration in single-atom doped CoSe2-DETA (DETA = diethylenetriamine) nanobelts toward achieving high performance.

Quantitatively describing the atomic configuration of the catalytically active sites is challenging. Here the authors demonstrate that tuning crystal-phase of metal single-particle enables to precisely describe the atomic structure of the active sites and accurately identify the activation routes of the reacting molecules.

Tailoring both the core size and shell thickness of core-shell bimetallic nanocatalysts to the dedicated geometrical and electronic properties are vital for catalytic performance optimization. Here the authors demonstrate such conjugated dual particle size effects on Au@Pd catalyzed benzyl alcohol oxidation.

It is important but challenging to oxidize methane by O₂ into methanol under ambient conditions. Here, the authors achieved mild oxidation of methane into methanol over Au single atoms on black phosphorus nanosheets with the help of water under light irradiation.

Chemoselective reactions are often characterized by an activity–selectivity trade-off that renders their optimization difficult. Here gold nanoparticles equipped with a platinum monolayer are introduced that, thanks to lattice expansion and ligand effect, achieve a remarkable performance for the chemoselective hydrogenation of halonitrobenzenes

Deactivation of supported metal catalysts via thermally induced sintering is a major concern in the catalysis community. Here, the authors demonstrate that enlarging particle distance to over the critical distance could suppress the particle coalescence greatly up to 900 °C.

Nanocrystals display a variety of facets with different catalytic activity. Here the authors identify the most active facet of copper nanocrystals relevant to the low-temperature water gas shift reaction and further design zinc oxide-copper nanocubes with exceptionally high catalytic activity.

NiFe and CoFe layered double hydroxides are among the most active electrocatalysts for the alkaline oxygen evolution reaction. Here, by combining operando experiments and rigorous DFT calculations, the authors unravel their active phase, the reaction center and the catalytic mechanism.