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Based on Bader charge descriptors, a Cu2ZnSnS4 nanosheet with S defects is developed for photocatalytic CO2 reduction. Under visible light irradiation, C2H4 is produced from CO2 with a yield of 25.16 µmol g-1 h-1 with ~50% selectivity.

Electrochemical CO reduction to multi-carbon products offers a carbon-negative approach to produce chemicals, but the intricate reaction pathways lead to a broad spectrum of products. Now it has been shown that alkali cations alter the mechanistic pathways that govern the reaction selectivity involved in the formation of hydrocarbons versus oxygenates.

Metal nanoclusters are promising for flexible light-emitting diodes but face efficiency and stability challenges. Here, the authors employ a π-conjugated mediator to align dipole alignment, yielding devices with 26.4% external quantum efficiency and 94% efficiency retention after 2000 bending cycles.

A family of bis(terpyridine)-metal-functionalized lead halide frameworks is synthesized with both near-infrared absorption and charge-polarized sites, demonstrating efficient near-infrared-driven CO₂ photoreduction to C₂ hydrocarbon products.

Electrocatalytic reduction of CO₂ over copper can be made highly selective by ‘tuning’ the copper surface with adsorbed organic molecules to stabilize intermediates for carbon-based fuels such as ethylene

Electrocatalytic co-reduction of CO₂ and NO₃ ^- for urea synthesis is constrained by low efficiency. Here, the stable Cu^δ+ active sites, regulated by an analogous rectifying interface effect, not only enhanced the critical C-N coupling dynamics but also enabled high-performance urea synthesis.

This work demonstrates how engineered dipole synergy between two semiconductor materials creates efficient charge transport pathways, enabling simultaneous production of clean hydrogenand high-value chemicals from solar energy.

Pressure causes profound changes in the properties of atoms and chemical bonding leading to unusual materials. Here, the authors investigate the Ca-C system and find that it becomes increasingly complex and develops a multitude of phases with various compositions and new structures at higher pressures.

A directional electrodynamic decomposition method using a LaNiO₃ sacrificial layer is proposed for freestanding films. It boosts oxide film release rate to 600 mm² /min via electric field-enhanced adsorption energy and electron transfer.

Segregation of solute atoms at interfaces affects the properties of alloys and needs to be understood to allow their rational design. Here the authors report an unusual solute segregation phenomenon in a group of Mg alloys, driven by chemical bonding, where solute atoms larger than Mg segregate to compression sites of specific fully coherent twin boundary.

Metal-cation-free CO₂ electroreduction in strong acid minimizes reactant loss and salt precipitation yet struggles with CO₂ activation and hydrogen evolution competition. Here, the authors report bioinspired sharp gold triangles with a proton-blocking layer that polarize CO₂ and suppress hydrogen evolution.

Xenon is an inert element at ambient conditions but may become reactive under pressure. It has now been predicted that pressure stabilizes increasing oxidation states of Xe atoms (from Xe⁰ to Xe²⁺ to Xe⁴⁺ to Xe⁶⁺), and thus a series of compounds — XeO, XeO₂ and XeO₃ — become thermodynamically stable at megabar pressures.

Developing high-current-density catalysts is key to efficient water splitting. Here, the authors report a single-atom Ru-doped amorphous Ni–Mo oxide that dynamically self-reconstructs to retain high activity at industrial current densities in an anion-exchange membrane water electrolyzer.

The study shows that high-coordination-shell defects in Fe-N₅ single-atom catalysts enhance peroxymonosulfate activation, enabling rapid and selective degradation of pollutants and revealing how remote site modulation controls catalytic efficiency.

Heterogeneous single-atom catalysts (SACs) offer high atom utilization and well-defined active sites but face challenges in multi-stage cross-couplings due to limited coordination and reactivity. Here, the authors introduce SACs on reducible carriers, enabling adaptive coordination to bypass oxidative addition in cross-couplings.

One major challenge for antiferromagnetic spintronics is how to control the antiferromagnetic state. Here Jani et al. demonstrate the reversible ionic control of the room-temperature magnetic anisotropy and spin reorientation transition in haematite, via the incorporation and removal of hydrogen.

While the promise of low metal utilization has brought single-atom catalysts (SACs) into the spotlight, intrinsic limits in reactivity still restrict their application to a small set of reactions. Here, the authors expand the repertoire of SAC transformations with a nitrogen-doped, carbon-supported, Ru single-atom catalyst that exploits the effect of peripheral N species to promote propane dehydrogenation.

Single-atom and nanocluster catalysts have been widely studied in heterogeneous catalysis, yet their coexistence and potential synergistic effects remain unclear. Here, the authors investigate atomic-scale Ni-based catalysts for bioethanol reforming and reveal a synergistic interaction between single atoms and nanoclusters.

Electrochemical nitrate reduction reaction offers a sustainable and efficient pathway for ammonia synthesis. Here, the authors report a unique K+ ions repelling effect on electron-deficient Ru electrocatalyst to realize efficient nitrate conversion under ampere-level current density.

Dry reforming of methane (DRM) offers a promising route to convert greenhouse gases into valuable syngas, yet its industrial application is limited by catalyst deactivation and carbon deposition under severe conditions. Here, the authors introduce a Ce-modified, Ni-exsolved perovskite catalyst that exhibits synergistic effects, enabling highly efficient and durable DRM performance.

There are several semiempirical models to predict which elements will form stable compounds, but their applicability is limited. Here, the authors develop a simple model to this aim throughout the periodic table requiring only two parameters fitting.

Electron density in TiS₂ is determined by synchrotron X-ray diffraction, which reveals significant differences between experimental data and theory for interlayer van der Waals interactions.

Advancing solid-state batteries relies on high performance solid electrolytes. Here, the authors report a family of superionic halides (e.g., NaTaCl₆) driven by the paddle-wheel mechanism, emphasizing the key role of anion dynamics in facilitating fast cation transport.

The mechanisms of the enhancement of stannum doping in achieving high piezoelectric performance in barium titanate-based ferroelectric ceramics remain elusive. Here, the authors introduce a single variable nonstoichiometric stannum strategy to reveal the intrinsic and extrinsic contributions for enhancing piezoelectricity after stannum doping.

Understanding the structure-function relationship in Cu-catalyzed CO₂ reduction is challenging due to dynamic active sites. This study introduces stable coordination polymer catalysts with homogenized, single-site Cu, enabling the study and tuning of C–C coupling efficiency in CO₂ electroreduction.

The performance of inverted perovskite solar cells has been limited by non-radiative recombination at the perovskite surfaces. Here, authors employ phosphonic acids and piperazinium chloride for homogeneous passivation, achieving certified efficiency of 28.9% for 60 cm² perovskite-silicon tandems.

Helium is generally recognized as being chemically inert. A thermodynamically stable compound of helium and sodium, Na₂He, has been predicted computationally and then synthesized at high pressure. It exists as an electride, where strongly localized electrons serve as anions located at the centre of Na₈ cubes.

Developing efficient catalysts that resolve the activity-stability trade-off remains challenging for hydrogen production. Here, the authors report a steam-assisted, machine-learning-screened synthesis of self-healing Ru/TiMnO_x electrodes that resolve this challenge.

Precise control over the energy of atomic metal sites is key to unlocking novel reaction pathways. Here, the authors achieve selective oxygen activation by the isolated copper site on ceria, due to its reduced 3d orbital energy via cerium induced electron withdrawing effect.

Proton exchange membrane electrolyzers hold promise for ethylamine synthesis from acetonitrile, yet local acidity fosters proton reduction. Here, authors systematically screen metal catalysts, verifying their effectiveness in such electrolyzers.

Tuning the oxygen activity in perovskite oxides (ABO₃) holds great potential for overcoming the trade-off between activity and selectivity in redox reactions. This paper highlights how A-site cations influence the electronic state of oxygen and how subsurface A-site vacancies enhance oxygen activity for improved methane conversion.

This study integrates a nitrite-adsorbing ionophore into a copper/carbon nanotube electrified membrane, enabling ultrafast and highly selective ammonia production from low-concentration nitrate in real water sources. This cooperative adsorption approach tunes the local catalyst environment to achieve high activity, selectivity and stability without using precious metals or complex synthesis methods.

The development of robust catalysts that could work under industrial-scale current densities remains a challenge for chlor-related reactions. Here, the authors report an activation method for designing efficient ruthenium single-atom catalysts that enhance chlor-related production and recycling.

Combining chemo- and biocatalytic sites within an integrated catalyst to perform complex, multi-step reactions is highly desirable but challenging. Here, the authors present an ionic organic cage platform for such a chemoenzymatic catalyst, achieved by electrostatic complexation of cationic molecular cage-encapsulated Pd clusters (Pd@C-Cage⁺) and anionic Candida antarctica lipase B.

This work explores the concept of hemilability in single atom catalysts. The results imply that this effect can promote reactant activation and product desorption simultaneously to provide a potential approach to circumvent the Sabatier volcano.

Efficient oxygen activation is crucial for catalytic oxidation reaction, but highly depends on the construction of active sites. Here, dual adjacent Fe atoms anchored on MnO₂ can assemble into a diatomic site, which activates molecular oxygen to form an active intermediate species Fe(O = O)Fe for CO oxidation.

This paper has explored the high-pressure behaviour of boron and uncovered a new phase that consists of negatively charged icosahedral B₁₂ clusters and positively charged B₂ pairs. The ionicity of the new phase strongly affects many of its properties, and arises from the different electronic properties of the B₁₂ clusters and B₂ pairs and the resultant charge transfer between them.

The rational design of carbon-supported transition metal single atom catalysts with precise coordination tailoring remains challenging. Here, the authors develop a topological heteroatom-transfer strategy to precisely control the P coordination in Co single atoms for hydrogen evolution.