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The authors report a wavelength-gated regeneration strategy, where specific wavelength photogenerated carriers drive the reversible cycling of active sites, enabling highly stable photocatalytic CO₂ reduction to C₂H₆.

There has been growing interest in the application of machine learning (ML) to the design of heterogeneous catalysts, including nanoparticle catalysts (NC) and single-atom catalysts (SACs). In this Review, the authors summarize recent advances in the ML-guided design of NCs and SACs for energy applications, focusing on the selection of features and descriptors for ML models from atom-scale structural information and identifying challenges and opportunities for the development of next-generation SACs through reliable datasets and advanced ML models.

A tandem catalytic strategy is developed to convert polystyrene waste into a spectrum of aromatic intermediates and subsequently into a single dominant product, toluene. This tandem design enhances product selectivity to 99% and minimizes downstream separation costs.

Regulating the Jahn-Teller effect in single-atom catalysts enables superior peroxymonosulfate activation. The Mn-N₄-C catalysts achieve high-efficiency water purification performance and long-term stability in simulated industrial-scale reactors.

Single-atom catalysts hold great potential for the electrochemical oxygen reduction reaction in hydrogen peroxide production. Here, the authors report Fe single-atom catalysts derived from microbial protein precursors, which enhance both the selectivity and activity for hydrogen peroxide production.

The hydrogen economy offers a promising route to reduce fossil fuel use, but efficient hydrogen cycling remains challenging. Here, the authors report a bioinspired sulfo-oxygen bridge that optimizes the interfacial water structure to boost hydrogen oxidation and evolution reactions.

Atom trapping is a well-established route to prepare single-atom catalysts. Here the authors propose a reverse atom-trapping strategy in which surface strontium atoms of LSCF fuel cell cathodes are extracted by MoO₃, forming single strontium vacancies on LSCF in a controllable manner and tuning its performance for the oxygen reduction reaction.

High-entropy alloy catalysts are an emerging class of materials and identification of catalytically active sites is critical. Here, we provide evidence that metal site electronegativity differences stabilize bound *OH and *H intermediates.

Efficient catalysts are key to advancing the hydrogen economy, particularly for the hydrogen evolution reaction. Here, the authors report that ultra-low coordinated hollow PtRuNi-Ox nanocages offer comparable catalytic performance and stability in both freshwater and wastewater conditions.

High-entropy alloy catalysts hold promise for overcoming linear scaling relationships due to their structural complexity. Herein, the authors report a surface entropy reduction method that enables the exsolution of few-atom-layer metals on high-entropy alloy catalysts, resulting in enhanced electrocatalytic reduction of nitrate to ammonia with a Faradaic efficiency of 92.7%.

The rational design and synthesis of dual-atom catalysts with structurally uniform and flexible active sites remains challenging. Now the tailored synthesis of a Janus Fe–Co dual-metal catalyst is reported in which the Fe and Co atoms are coordinated to N and O, respectively, and linked through bridging N and O atoms.

Cu₂Se is of interest for thermoelectrics as it is environmentally sustainable and has a high figure of merit ZT; however, copper ion migration impacts device stability. Here a co-doping strategy that combines steric and electrostatic effects is shown to improve device stability as well as improving ZT to 3.

Local and reversible oxidation is used to exploit the very different properties of oxygen and vacancy ordered oxides. Here the authors directly image and make use of anisotropic migration velocities of oxygen in SrCoO_x to create 3D meso-structures of those two phases by ionic liquid gating.

Ru is one of the most active metals for oxygen evolution reaction, but it quickly dissolves in acidic electrolyte particularly in nanosized form. Here the authors show that coral-like solid-solution Ru‒Ir consisting of 3 nm-thick sheets with only 6 at% Ir is a long-lived catalyst with high activity