Themed collection 2017 Catalysis Science & Technology HOT Articles
Practices for the collection and reporting of electrocatalytic performance and mechanistic information for the CO2 reduction reaction
This work discusses how to best perform experiments and report data for the electrochemical reduction of carbon dioxide.
Grand challenges for catalysis in the Science and Technology Roadmap on Catalysis for Europe: moving ahead for a sustainable future
This perspective discusses the general concepts that will guide future catalysis and related grand challenges based on the Science and Technology Roadmap on Catalysis for Europe prepared by the European Cluster on Catalysis.
Forty years of temporal analysis of products
A detailed understanding of reaction mechanisms and kinetics is required in order to develop and optimize catalysts and catalytic processes. Temporal analysis of products (TAP) is an instrument capable of providing such understanding.
Transition metal–phosphorus-based materials for electrocatalytic energy conversion reactions
This review illustrates the recent developments of transition metal–phosphorus-based materials for electrocatalytic energy conversion reactions.
Challenges and breakthroughs in post-combustion catalysis: how to match future stringent regulations
This short overview briefly summarizes the prominent evolutions and scientific breakthroughs in the development of end-of-pipe technologies with respect to the standard regulations of atmospheric pollutant emissions from automotive exhaust.
Metal–organic frameworks (MOFs) for photocatalytic CO2 reduction
This review summarized the recent progress, limitations and challenges in using MOFs for photocatalytic CO2 reduction, a green and sustainable strategy for CO2 utilization.
Ménage-à-trois: single-atom catalysis, mass spectrometry, and computational chemistry
Genuine, single-atom catalysis can be realized in the gas phase and probed by mass spectrometry combined with computational chemistry.
Combining additive manufacturing and catalysis: a review
A review on additive manufacturing (AM) applied to heterogeneous catalysis reveals enabling power of AM and challenges to overcome in chemical interfacing and material printability.
Iron-catalyzed dehydrogenation reactions and their applications in sustainable energy and catalysis
This review article describes recent developments of iron-based acceptorless dehydrogenation (AD) reactions of fundamentally important feedstock, as a route to sustainable chemical synthesis and energy storage applications.
Minireview: direct catalytic conversion of sour natural gas (CH4 + H2S + CO2) components to high value chemicals and fuels
Direct sour natural gas catalytic conversion allows to obtain high value products, such as hydrocarbon and organosulfur chemicals, fuels and fertilizers.
Organocatalyzed coupling of carbon dioxide with epoxides for the synthesis of cyclic carbonates: catalyst design and mechanistic studies
The coupling of carbon dioxide (CO2) with epoxides with the formation of cyclic carbonates is a highly attractive 100% atom economic reaction. It represents a greener and safer alternative to the conventional synthesis of cyclic carbonates from diols and toxic phosgene.
Catalytic application of layered double hydroxide-derived catalysts for the conversion of biomass-derived molecules
Layered double hydroxide and its derived metal oxides in the transformations of biomass-derived molecules.
Aluminium fluoride – the strongest solid Lewis acid: structure and reactivity
Highly Lewis acidic aluminium fluorides are interesting heterogeneous catalysts for many reactions, especially C–H and C–F bonds can be activated at room temperature.
Upgrading of oxygenated compounds present in aqueous biomass-derived feedstocks over NbOx-based catalysts
Oxygenated organic compounds in biorefinery aqueous effluents are transformed into a mixture of hydrocarbon fuel precursors by using a Nb oxide catalyst.
One-pot Suzuki–Heck relay to prepare industrially valuable intermediates using the Pd–Cy*Phine catalyst system
A rare example of a one-pot, palladium-catalyzed Suzuki–Heck sequence has been developed with applicability to APIs and organoelectronic materials.
Nitrile hydroboration reactions catalysed by simple nickel salts, bis(acetylacetonato)nickel(II) and its derivatives
Simple nickel salts, bis(acetylacetonato)nickel(II) and its derivatives, catalyzed the hydroboration reactions of aryl and alkyl nitriles with catechol borane.
Tandem catalytic synthesis of benzene from CO2 and H2
Benzene was synthesized from CO2 and H2 by a tandem catalysis reaction comprising CO2 methanation and CH4 aromatization.
Establishing a discrete Ising model for zeolite deactivation: inspiration from the game of Go
A discrete model for zeolite deactivation is built considering cage connectivity, in the inspiration of the game of Go.
Efficient carbon-supported heterogeneous molybdenum-dioxo catalyst for chemoselective reductive carbonyl coupling
Selective carbonyl coupling, high symmetric ether selectivity.
Impact of minor amounts of hydroperoxides on rhodium-catalyzed hydroformylation of long-chain olefins
The influence of varying hydroperoxide concentrations in olefin feeds was systematically investigated in rhodium-catalyzed hydroformylation using a diphosphite ligand.
Improving the catalytic efficiency of carbon-based active sites by trace oxide promoters for highly productive olefin synthesis
The catalytic ODH activation energy on CNTs significantly decreased by the introduction of metal oxides. The propane turn-over efficiency of each original carbon-based active site consequently increased exponentially.
Palladium-catalyzed dehydrogenation of dihydro-heterocycles using isoprene as the hydrogen acceptor without oxidants
An efficient and general method for Pd-catalyzed dehydrogenative aromatization of dihydro-heteroatom compounds without external O2 and H2 is first described.
Engineering of D-fructose-6-phosphate aldolase A for improved activity towards cinnamaldehyde
D-Fructose-6-phosphate aldolase A (FSAA) from Escherichia coli was engineered for enhanced catalytic efficiency towards cinnamaldehyde.
Is iron nitride or carbide highly active for oxygen reduction reaction in acidic medium?
The high ORR activities in acidic medium for the so-called Fe2N- and Fe3C-based catalysts actually originate from the trace of Fe–Nx/C moieties (x ≥ 4) rather than the Fe2N or Fe3C phases themselves.
Investigation of methanol conversion over high-Si beta zeolites and the reaction mechanism of their high propene selectivity
Large pore high-Si beta zeolites (Si/Al = 136 to 340) were synthesized by a HF-assisted method, and their catalytic performance for the conversion of methanol to propene was explored.
Identification of activity trends for CO oxidation on supported transition-metal single-atom catalysts
Identification of activity trends for CO oxidation on transition-metal single-atom catalysts by using Ead(CO) and Ead(O2) as descriptors.
Direct hydroxylation of benzene and aromatics with H2O2 catalyzed by a self-assembled iron complex: evidence for a metal-based mechanism
An imine-based catalyst easily obtained by self-assembly of cheap and commercially available starting materials selectively catalyzes the hydroxylation of aromatic compounds.
Elucidating the role of oxygen coverage in CO2 reduction on Mo2C
Revealed linear relationships between oxygen coverage and electronic modification of the Mo2C catalyst that tunes the reactivity for CO2 reduction.
In situ investigation on Co-phase evolution and its performance for Fischer–Tropsch synthesis over Nb-promoted cobalt catalysts
The influences of Nb on the Co-phase evolution, reducibility, chemisorption, and Fischer–Tropsch synthesis performance of catalysts were in situ researched.
Influence of Re–M interactions in Re–M/C bimetallic catalysts prepared by a microwave-assisted thermolytic method on aqueous-phase hydrogenation of succinic acid
Re–M/C catalysts were simply synthesized and a kinetic study was performed to provide insight into the effect of Re–M interactions.
Ab initio coverage-dependent microkinetic modeling of benzene hydrogenation on Pd(111)
Coverage-dependent calculations are required for an accurate DFT-based prediction of the activity and a correct mechanistic understanding of catalytic hydrogenation.
Imaging and chemically probing catalytic processes using field emission techniques: a study of NO hydrogenation on Pd and Pd–Au catalysts
Nitric oxide hydrogenation is investigated on palladium and gold–palladium alloy crystallites, i.e. the extremity of sharp tip samples aimed at modelling a single catalytic grain.
Reactivity of methanol over copper supported on well-shaped CeO2: a TPD-DRIFTS study
Methoxy and formate species resulting from methanol adsorption on Cu supported on well-shaped CeO2 are morphology-dependent.
Participation of interfacial hydroxyl groups in the water-gas shift reaction over Au/MgO catalysts
OH at 3750 cm−1 reacts with CO only in the presence of Au, indicating the importance of the Au/MgO interface.
Development of basicity in mesoporous silicas and metallosilicates
We report herein an experimental study on the development of basicity on mesoporous silicas and metallosilicates (Nb- and Ce-) on SBA-15 and MCF porous structures.
Computational exploration of ligand effects in copper-catalyzed boracarboxylation of styrene with CO2
CO2 insertion is promoted by copper catalysts with more electron-rich monophosphine or less sterically hindered NHC ligands.
Efficient chromium-based catalysts for ethylene tri-/tetramerization switched by silicon-bridged/N,P-based ancillary ligands: a structural, catalytic and DFT study
High performance catalysts switched by a series of silicon-bridged/N,P-based ancillary ligands have been explored.
Tuning the confinement space of N-carbon shell-coated ruthenium nanoparticles: highly efficient electrocatalysts for hydrogen evolution reaction
Development of efficient and durable catalysts for the hydrogen evolution reaction (HER) in an alkaline system is vital for the transformation of renewable energy into hydrogen fuel.
Selective oxidation of propene to acrolein on FeMoTeO catalysts: determination of active phase and enhancement of catalytic activity and stability
Multicomponent FeMoTeO catalysts have been synthesized and studied for mild propene oxidation to acrolein.
Rational design of Fe catalysts for olefin aziridination through DFT-based mechanistic analysis
Experimental and DFT-based mechanistic studies are used to optimise Fe catalysts for aziridination.
Synthesis and activation for catalysis of Fe-SAPO-34 prepared using iron polyamine complexes as structure directing agents
Fe-SAPO-34 templated with Fe2+–polyamine complexes gives Fe3+ species upon calcination that are active for selective catalytic reduction of NOx with ammonia.
Computer-aided rational design of Fe(III)-catalysts for the selective formation of cyclic carbonates from CO2 and internal epoxides
The mechanism of Fe-catalyzed cyclic carbonate formation of CO2 and internal epoxides was studied to identify design strategies for more efficient catalysts.
Connection between macroscopic kinetic measurables and the degree of rate control
Macroscopic kinetic measurables are linked to elementary reaction steps by the degree of rate control.
Out-of-plane FeII–N4 moiety modified Fe–N co-doped porous carbons as high-performance electrocatalysts for the oxygen reduction reaction
A Fe–N–C electrocatalyst with active FeII–N4 sites was synthesized exhibiting superior oxygen reduction performance in both alkaline and acidic electrolytes.
Theoretical understanding on the selectivity of acrolein hydrogenation over silver surfaces: the non-Horiuti–Polanyi mechanism is the key
The significance of the non-Horiuti–Polanyi mechanism in understanding heterogeneous catalytic hydrogenation reactions is highlighted.
Water as a catalytic switch in the oxidation of aryl alcohols by polymer incarcerated rhodium nanoparticles
Rh nanoparticles that were inactive in toluene, were converted into a powerful catalyst for aryl alcohol oxidation by the presence of water in the reaction media.
Transient structural and catalytic behaviour of Pt-particles probed by operando spectroscopy during a realistic driving cycle
Pt catalysts investigated with operando XAS under rapid transient temperature automotive driving cycle conditions.
Electrochemical study of the promoting effect of Fe on oxygen evolution at thin ‘NiFe–Bi’ films and the inhibiting effect of Al in borate electrolyte
Adding Fe3+ or Al3+ to the electrolyte resulted in fast promotion or poisoning, respectively, of catalysis for oxygen evolution at nickel–borate, and both effects were accompanied with anodic shifts in the redox peaks with potential scanning.
Colloidal Cu/ZnO catalysts for the hydrogenation of carbon dioxide to methanol: investigating catalyst preparation and ligand effects
This paper reports on the influences of the catalyst preparation method and ligand effects for a series of highly active Cu/ZnO colloidal catalysts for the hydrogenation of CO2 to methanol.
Supported two- and three-dimensional vanadium oxide species on the surface of β-SiC
Dispersing two-dimensional VOx species on β-SiC offers a new approach to scale up propane ODH.
Effect of hierarchical meso–macroporous structures on the catalytic performance of silica supported cobalt catalysts for Fischer–Tropsch synthesis
A series of meso–macroporous silica supports with the same macroporous diameter but different mesoporous diameters were prepared by introducing phase separation into a sol–gel process and used to prepare cobalt catalysts for Fischer–Tropsch synthesis.
Phosphine-pyridonate ligands containing octahedral ruthenium complexes: access to esters and formic acid
Selective formation of esters from primary alcohols or formic acid from carbon dioxide was achieved in the presence of phosphine-pyridone containing ruthenium catalysts.
Catalytic carbonyl hydrosilylations via a titanocene borohydride–PMHS reagent system
Catalytic amounts of titanocene(III) borohydride, generated under mild conditions from commercially available titanocene dichloride, in concert with a stoichiometric hydride source is shown to effectively reduce aldehydes and ketones to their respective alcohols in aprotic media.
Theoretical insights into the nature of synergistic enhancement in bimetallic CoTiAlPO-5 catalysts for ammonia activation
Bimetallic catalytic synergy, the concurrent action of two different metal ions in the same material, has resulted in improved efficiency in many catalytic systems and for a range of chemical processes.
Et3GeH versus Et3SiH: controlling reaction pathways in catalytic C–F bond activations at a nanoscopic aluminum chlorofluoride
Catalytic C–F activations at Lewis-acidic amorphous aluminum chlorofluoride (ACF) with Et3GeH and Et3SiH for reaction pathway control are presented.
Simple synthesis of ultrasmall β-Mo2C and α-MoC1−x nanoparticles and new insights into their catalytic mechanisms for dry reforming of methane
Ultrasmall β- and α-molybdenum carbide particles were synthesized by a resin route and they showed different oxidation–recarburization cycles.
Designing MoS2 nanocatalysts with increased exposure of active edge sites for anthracene hydrogenation reaction
Designing MoS2 nanocatalysts rich with active edge sites by engineering of the nanostructures is an effective strategy to enhance their catalytic activity.
First-principles study of structure sensitivity of chain growth and selectivity in Fischer–Tropsch synthesis using HCP cobalt catalysts
Co (0001) prefers the CO insertion mechanism with high methane selectivity, but Co (101) prefers the carbide mechanism with high C2-hydrocarbon selectivity.
Effect of zeolite confinement on the conversion of 1-butanol to butene isomers: mechanistic insights from DFT based microkinetic modelling
First principles microkinetic modelling shows that, unlike in H-ZSM-5 and H-ZSM-22, trans-2-butene formation in H-FER occurs via direct dehydration of 1-butanol.
Hydrogenative ring-rearrangement of biomass derived 5-(hydroxymethyl)furfural to 3-(hydroxymethyl)cyclopentanol using combination catalyst systems of Pt/SiO2 and lanthanoid oxides
Combination catalyst systems composed of Pt/SiO2 and lanthanoid oxides efficiently catalyze the hydrogenative ring-rearrangement of 5-(hydroxymethyl)furfural in water to produce 3-(hydroxymethyl)cyclopentanol which can be a unique chemical building block derived from biomass.
Structure–reactivity relationship in isolated Zr sites present in Zr-zeolite and ZrO2 for the Meerwein–Ponndorf–Verley reaction
An adequate distribution of co-adsorbed reactants on the catalyst surface determines the activity of Zr-containing materials for the MPV reaction.
Tryptophan lyase (NosL): mechanistic insights into amine dehydrogenation and carboxyl fragment migration by QM/MM calculations
QM/MM calculations suggest two feasible pathways for the breaking of the C–C bond of the substrate. The breaking of the Cα–Cβ bond leads to the final product, whereas the cleavage of the Cα–C bond will terminate in the EPR-trapped radical intermediate.
Rational design of porous binary Pt-based nanodendrites as efficient catalysts for direct glucose fuel cells over a wide pH range
Porous binary PtPd, AuPt, PtCu, and PtNi nanodendrites prepared by a facile one-step reduction under ultrasonic irradiation at room temperature, exhibited a substantial catalytic activity towards glucose oxidation reaction at different pH values relative to a commercial Pt/C catalyst.
Facile and benign conversion of sucrose to fructose using zeolites with balanced Brønsted and Lewis acidity
A simple and robust two-step process with zeolites as catalysts converts sucrose in high yield into the versatile monosaccharide fructose.
Lead-free organic–inorganic hybrid perovskite heterojunction composites for photocatalytic applications
Heterojunction structured MASnI3/TiO2 photocatalysts (MA represents CH3NH3+) are prepared via a facile wet-chemical method and characterized by various techniques.
Mechanistic insights into complete hydrogenation of 1,3-butadiene over Pt/SiO2: effect of Pt dispersion and kinetic analysis
Gas-phase hydrogenation of 1,3-butadiene was investigated over Pt/SiO2 catalysts with the aim of understanding the complete hydrogenation of dienes.
New insights into catalyst deactivation and product distribution of zeolites in the methanol-to-hydrocarbons (MTH) reaction with methanol and dimethyl ether feeds
The ability of a zeolitic catalyst to dehydrate methanol to dimethyl ether affects catalyst deactivation and product distribution during the methanol-to-hydrocarbons (MTH) reaction.
Ni/Ln2Zr2O7 (Ln = La, Pr, Sm and Y) catalysts for methane steam reforming: the effects of A site replacement
The Ln2Zr2O7 phase varies from pyrochlore to defective fluorite with decreasing rA/rB, thus resulting in Ni/Ln2Zr2O7 catalysts with improved performance.
Mass transfer and convection effects in small-scale catalytic hydrogenation
The reaction rate of rhodium-catalyzed hydrogenation of alkynes was shown to be strongly influenced by the transfer of the hydrogen gas into the solution and stirring in the solution.
An efficient Cu-catalyzed azide–alkyne cycloaddition (CuAAC) reaction in aqueous medium with a zwitterionic ligand, betaine
Betaine, a simple zwitterionic additive, dramatically accelerated the CuAAC reaction in excellent yields under 2.5–200 ppm levels of Cu(I) in water.
About this collection
Welcome to our online rolling collection of the hottest work published in Catalysis Science & Technology. Here we feature all the 2017 Catalysis Science & Technology articles highlighted as HOT by the handling editor or our referees. Congratulations to all the authors whose articles are featured.