Themed collection Editor’s Choice – Jinlong Gong

The concept of quantum-confined superfluid reactions is introduced into artificial systems, which is expected to be useful in future chemical engineering.

Covalent and non-covalent approaches to tune the stability of organic radicals through steric effects and the delocalization of spin density.

KMC simulations show that decreasing the barrier of H₂O decomposition is more beneficial than decreasing the CO binding affinity in LT-WGS, while the latter was overemphasized by MF-MKM. Here Ru_1–3@Pt alloy is proposed as a promising catalyst.

The underlying factors that result in the high pre-exponential factors for formate decomposition on Au and Cu(110) surfaces and the origins of differences between experiment and theory that may arise are reported.

Large scale CO₂ electrolysis can be achieved using gas diffusion electrodes (GDEs), and is an essential step towards broader implementation of carbon capture and utilization strategies.

We have achieved the selective monitoring of H₂O₂ fluctuation in vivo free from O₂ interference by a single-atom Cu–N₂ electrocatalyst.

Selective electrocarboxylation of nucleophilically susceptible organic halides without sacrificial anodes is enabled by inorganic salt additives, which suppress the nucleophilicity of anions in the electrolyte.

Consideration of the selectivity of methane to methanol in the aqueous phase with AIMD.

The stability of bimetallic AgCu and PdCu catalysts for electrochemical CO₂RR is investigated using the combination of operando and ex situ TEM. The local CO concentration is identified as the main link between activity, stability and selectivity.

It is discovered that an amorphous transition metal catalyst Co–Zr0.1–B–O could effectively accelerate CO2 methanation, at a rate that is comparable to or even higher than that of some noble metal catalysts under similar conditions.

We develop computationally affordable and encoding independent gradient evaluation procedures for unitary coupled-cluster type operators, applicable on quantum computers.

Photodynamic cancer therapy has attracted great attention with the increasing threat of tumors, and improving its therapeutic efficacy is highly desirable.

Integrating feature learning and on-the-fly feather engineering enables fast and accurate reacitvity predictions using large or small dataset.

The gravimetric surface density and ORR catalytic turnover frequency of Fe–NC and Fe/Ni–NC catalysts were investigated. Both catalysts feature chemically identical Fe sites, but the presence of Ni lowered the gravimetric surface density of Fe sites.

Titanosilicate zeolite precursors, with open structures of zeolite units and high amounts of catalytically active Ti species, show superior catalytic performance in the oxidative reactions.

Single Au atoms within van der Waals complexes are found to serve as catalysts in ionisation-induced chemistry for the first time.

In situ chlorine and sulphur XAS shows a dynamic ligand environment around cationic Au single-sites during acetylene hydrochlorination.

Unraveling the entangled multi-channel dissociation pathways by a two-dimensional, time and product pair-correlation, measurement and ab initio calculations.

Alloying is well-known to improve the dehydrogenation selectivity of pure metals, but there remains considerable debate about the structural and electronic features of alloy surfaces that give rise to this behavior.

The vacuum ultraviolet photodissociation dynamics of ethane provide clues for modelling the atmospheric chemistry of the gas giants.

Silica-supported subnanometric PtZn particles, prepared via surface organometallic chemistry, are highly productive and selective for propane dehydrogenation.

A new mixing rule (geometric mean) is proposed with substantial improvements compared to the widely used ideal adsorbed solution theory for adsorbates with strong lateral interactions.

The development of robust and efficient water splitting photocatalysts overcomes a long-standing barrier to sustainable large-scale solar hydrogen evolution systems.

Theory and experiment reveal relationships between observed UV-visible spectra and ion exchange site types, ion nuclearity, and finite-temperature dynamics in Cu exchanged chabazite (SSZ-13) zeolites.

Mesoporous TiO₂ microspheres with controllable phase junctions have been synthesized by a facile coordination-mediated self-assembly method.

Distinct gold nanostructures on activated and nitrogen-doped carbons are evaluated in acetylene hydrochlorination.

Single Ru atoms are uniquely located on the top of trivalence Fe atom of NiFe layered double hydroxide.

PtCu– and PdCu–mordenite allow for isothermal reaction at 200 °C for the stepwise methane to methanol conversion with higher yields under isothermal conditions than after high temperature activation.