Themed collection Editor’s Choice – Jinlong Gong
Quantum-confined superfluid reactions
The concept of quantum-confined superfluid reactions is introduced into artificial systems, which is expected to be useful in future chemical engineering.
Tuning the stability of organic radicals: from covalent approaches to non-covalent approaches
Covalent and non-covalent approaches to tune the stability of organic radicals through steric effects and the delocalization of spin density.
Towards the rational design of Pt-based alloy catalysts for the low-temperature water-gas shift reaction: from extended surfaces to single atom alloys
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 Ru1–3@Pt alloy is proposed as a promising catalyst.
Toward benchmarking theoretical computations of elementary rate constants on catalytic surfaces: formate decomposition on Au and Cu
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.
Probing the local activity of CO2 reduction on gold gas diffusion electrodes: effect of the catalyst loading and CO2 pressure
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.
A single-atom Cu–N2 catalyst eliminates oxygen interference for electrochemical sensing of hydrogen peroxide in a living animal brain
We have achieved the selective monitoring of H2O2 fluctuation in vivo free from O2 interference by a single-atom Cu–N2 electrocatalyst.
Suppressing carboxylate nucleophilicity with inorganic salts enables selective electrocarboxylation without sacrificial anodes
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.
Investigating the innate selectivity issues of methane to methanol: consideration of an aqueous environment
Consideration of the selectivity of methane to methanol in the aqueous phase with AIMD.
Is Cu instability during the CO2 reduction reaction governed by the applied potential or the local CO concentration?
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.
Low temperature methanation of CO2 over an amorphous cobalt-based catalyst
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.
A feasible approach for automatically differentiable unitary coupled-cluster on quantum computers
We develop computationally affordable and encoding independent gradient evaluation procedures for unitary coupled-cluster type operators, applicable on quantum computers.
A singlet oxygen self-reporting photosensitizer for cancer phototherapy
Photodynamic cancer therapy has attracted great attention with the increasing threat of tumors, and improving its therapeutic efficacy is highly desirable.
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors
Integrating feature learning and on-the-fly feather engineering enables fast and accurate reacitvity predictions using large or small dataset.
Surface site density and utilization of platinum group metal (PGM)-free Fe–NC and FeNi–NC electrocatalysts for the oxygen reduction reaction
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 for highly efficient oxidation reactions
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.
Ion-molecule reactions catalyzed by a single gold atom
Single Au atoms within van der Waals complexes are found to serve as catalysts in ionisation-induced chemistry for the first time.
In situ K-edge X-ray absorption spectroscopy of the ligand environment of single-site Au/C catalysts during acetylene hydrochlorination
In situ chlorine and sulphur XAS shows a dynamic ligand environment around cationic Au single-sites during acetylene hydrochlorination.
Real-time tracking of the entangled pathways in the multichannel photodissociation of acetaldehyde
Unraveling the entangled multi-channel dissociation pathways by a two-dimensional, time and product pair-correlation, measurement and ab initio calculations.
Structural trends in the dehydrogenation selectivity of palladium alloys
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.
Ultraviolet photochemistry of ethane: implications for the atmospheric chemistry of the gas giants
The vacuum ultraviolet photodissociation dynamics of ethane provide clues for modelling the atmospheric chemistry of the gas giants.
Silica-supported, narrowly distributed, subnanometric Pt–Zn particles from single sites with high propane dehydrogenation performance
Silica-supported subnanometric PtZn particles, prepared via surface organometallic chemistry, are highly productive and selective for propane dehydrogenation.
Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal–organic frameworks
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.
An Al-doped SrTiO3 photocatalyst maintaining sunlight-driven overall water splitting activity for over 1000 h of constant illumination
The development of robust and efficient water splitting photocatalysts overcomes a long-standing barrier to sustainable large-scale solar hydrogen evolution systems.
Consequences of exchange-site heterogeneity and dynamics on the UV-visible spectrum of Cu-exchanged SSZ-13
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.
Synthesis of uniform ordered mesoporous TiO2 microspheres with controllable phase junctions for efficient solar water splitting
Mesoporous TiO2 microspheres with controllable phase junctions have been synthesized by a facile coordination-mediated self-assembly method.
Controlling the speciation and reactivity of carbon-supported gold nanostructures for catalysed acetylene hydrochlorination
Distinct gold nanostructures on activated and nitrogen-doped carbons are evaluated in acetylene hydrochlorination.
Single Ru atoms with precise coordination on a monolayer layered double hydroxide for efficient electrooxidation catalysis
Single Ru atoms are uniquely located on the top of trivalence Fe atom of NiFe layered double hydroxide.
Increasing the activity of copper exchanged mordenite in the direct isothermal conversion of methane to methanol by Pt and Pd doping
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.
About this collection
In 2021, Chemical Science welcomed Professor Jinlong Gong to the journal as an Associate Editor, handling papers in the areas of heterogeneous catalysis. Jinlong has looked back over Chemical Science papers published over the past couple of years and has selected some outstanding articles that he would like to share, with a focus on recent trends in heterogeneous catalysis, surface science, and hydrogen energy. We hope you enjoy reading through this selection.