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Themed collection 2017 Catalysis Science & Technology HOT Articles

120 items - Showing page 1 of 2
Paper

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.

Graphical abstract: Direct hydroxylation of benzene and aromatics with H2O2 catalyzed by a self-assembled iron complex: evidence for a metal-based mechanism
Paper

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.

Graphical abstract: Investigation of methanol conversion over high-Si beta zeolites and the reaction mechanism of their high propene selectivity
Communication

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.

Graphical abstract: Establishing a discrete Ising model for zeolite deactivation: inspiration from the game of Go
Communication

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.

Graphical abstract: Impact of minor amounts of hydroperoxides on rhodium-catalyzed hydroformylation of long-chain olefins
Communication

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.

Graphical abstract: Nitrile hydroboration reactions catalysed by simple nickel salts, bis(acetylacetonato)nickel(ii) and its derivatives
Paper

Carbon dissolution and segregation in platinum

Density functional studies at show the feasibility of C subsurface incorporation in Platinum occupying tetrahedral sites. A comparative with Ni and Pd highlights that surface relaxation is critical in C dissolution, specially at low-coordinated sites of Pt nanoparticles. Results explain phenomena such as C dissolution and segregation to form graphene from below, and may serve to tune the Pt surface chemical reactivity.

Graphical abstract: Carbon dissolution and segregation in platinum
Paper

Ligand effects in rhodium-catalyzed hydroformylation with bisphosphines: steric or electronic?

Do wide bite angles lead to high linear regioselectivity in hydroformylation, or is an electronic effect operative?

Graphical abstract: Ligand effects in rhodium-catalyzed hydroformylation with bisphosphines: steric or electronic?
Paper

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.

Graphical abstract: Designing MoS2 nanocatalysts with increased exposure of active edge sites for anthracene hydrogenation reaction
Paper

Deep insight into Zr/Fe combination for successful Pt/CeO2/Al2O3 WGS catalyst doping

Efficient promotion of the Pt/CeO2/Al2O3 catalytic system was achieved by the addition of two different ceria promoters, Zr and Fe.

Graphical abstract: Deep insight into Zr/Fe combination for successful Pt/CeO2/Al2O3 WGS catalyst doping
Minireview

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.

Graphical abstract: Minireview: direct catalytic conversion of sour natural gas (CH4 + H2S + CO2) components to high value chemicals and fuels
Paper

A mechanistic study of the Lewis acid–Brønsted base–Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone

Reaction shown to exhibit biomimetic behaviour.

Graphical abstract: A mechanistic study of the Lewis acid–Brønsted base–Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone
Paper

Ratio-controlled synthesis of phyllosilicate-like materials as precursors for highly efficient catalysis of the formyl group

The design and development of heterogeneous catalysts is very critical for the synthesis of various chemicals and fuels derived from superfluous biomass.

Graphical abstract: Ratio-controlled synthesis of phyllosilicate-like materials as precursors for highly efficient catalysis of the formyl group
Paper

Synthesis of ene-yne-enes by nickel-catalyzed double SN2′ substitution of 1,6-dichlorohexa-2,4-diyne

1,6-Dichlorohexa-2,4-diyne undergoes nickel-catalyzed double substitution with aryl and alkenyl Grignard reagents to provide substituted ene-yne-enes.

Graphical abstract: Synthesis of ene-yne-enes by nickel-catalyzed double SN2′ substitution of 1,6-dichlorohexa-2,4-diyne
Paper

Crude oil to chemicals: light olefins from crude oil

The possibility to fulfill the increasing market demand and producers' needs in processing straightforwardly crude oil, a cheap and universally available feedstock, to produce petrochemicals appears to be a very attractive strategy.

Graphical abstract: Crude oil to chemicals: light olefins from crude oil
Paper

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.

Graphical abstract: Effect of zeolite confinement on the conversion of 1-butanol to butene isomers: mechanistic insights from DFT based microkinetic modelling
Paper

Activation performance and mechanism of a novel heterogeneous persulfate catalyst: metal–organic framework MIL-53(Fe) with FeII/FeIII mixed-valence coordinatively unsaturated iron center

In this work, a novel and effective heterogeneous catalyst, the metal–organic framework MIL-53(Fe), has been synthesized for the purpose of activating persulfate (PS).

Graphical abstract: Activation performance and mechanism of a novel heterogeneous persulfate catalyst: metal–organic framework MIL-53(Fe) with FeII/FeIII mixed-valence coordinatively unsaturated iron center
Open Access Paper

Epoxidation of propene using Au/TiO2: on the difference between H2 and CO as a co-reactant

The role of the reducing gas in the direct epoxidation of propene to propene oxide (PO) using O2 over a Au/TiO2 catalyst was studied through experiments and density functional theory calculations.

Graphical abstract: Epoxidation of propene using Au/TiO2: on the difference between H2 and CO as a co-reactant
Minireview

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.

Graphical abstract: Organocatalyzed coupling of carbon dioxide with epoxides for the synthesis of cyclic carbonates: catalyst design and mechanistic studies
Paper

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.

Graphical abstract: In situ investigation on Co-phase evolution and its performance for Fischer–Tropsch synthesis over Nb-promoted cobalt catalysts
Paper

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.

Graphical abstract: Efficient chromium-based catalysts for ethylene tri-/tetramerization switched by silicon-bridged/N,P-based ancillary ligands: a structural, catalytic and DFT study
Paper

Insights into Cr/SiO2 catalysts during dehydrogenation of propane: an operando XAS investigation

In situ and operando XAS spectroscopic methods were applied to monitor the variations in the oxidation state and in the local structure of the chromium sites in a 2.0Cr/SiO2-DHS catalyst during propane dehydrogenation under non-oxidative and different oxidative conditions.

Graphical abstract: Insights into Cr/SiO2 catalysts during dehydrogenation of propane: an operando XAS investigation
Paper

Electrocatalytic hydrogenation of pyridinium enabled by surface proton transfer reactions

It is observed for the first time that pyridinium is hydrogenated at Pt electrodes in electrochemical conditions consistent with those previously shown to yield selective reduction of carbon dioxide to methanol and formic acid.

Graphical abstract: Electrocatalytic hydrogenation of pyridinium enabled by surface proton transfer reactions
Paper

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.

Graphical abstract: Imaging and chemically probing catalytic processes using field emission techniques: a study of NO hydrogenation on Pd and Pd–Au catalysts
Perspective

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.

Graphical abstract: Grand challenges for catalysis in the Science and Technology Roadmap on Catalysis for Europe: moving ahead for a sustainable future
Paper

One-step preparation of N-doped graphitic layer-encased cobalt/iron carbide nanoparticles derived from cross-linked polyphthalocyanines as highly active electrocatalysts towards the oxygen reduction reaction

The pyrolyzed polyphthalocyanine exhibit much better activity than the pyrolyzed pure phthalocyanine.

Graphical abstract: One-step preparation of N-doped graphitic layer-encased cobalt/iron carbide nanoparticles derived from cross-linked polyphthalocyanines as highly active electrocatalysts towards the oxygen reduction reaction
Communication

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.

Graphical abstract: Engineering of d-fructose-6-phosphate aldolase A for improved activity towards cinnamaldehyde
Paper

Transfer hydrogenation of bio-fuel with formic acid over biomass-derived N-doped carbon supported acid-resistant Pd catalyst

The strong Pd–N interaction on biomass-derived N-doped highly mesoporous carbons (NMCs) generates co-existence of electron-deficient Pd (Pdδ+) and metallic Pd (Pd0), leading to Pd/NMC as novel bifunctional catalyst for both FA dehydrogenation and vanillin hydrogenation.

Graphical abstract: Transfer hydrogenation of bio-fuel with formic acid over biomass-derived N-doped carbon supported acid-resistant Pd catalyst
Minireview

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.

Graphical abstract: Catalytic application of layered double hydroxide-derived catalysts for the conversion of biomass-derived molecules
Communication

Efficient carbon-supported heterogeneous molybdenum-dioxo catalyst for chemoselective reductive carbonyl coupling

Selective carbonyl coupling, high symmetric ether selectivity.

Graphical abstract: Efficient carbon-supported heterogeneous molybdenum-dioxo catalyst for chemoselective reductive carbonyl coupling
Paper

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.

Graphical abstract: Ab initio coverage-dependent microkinetic modeling of benzene hydrogenation on Pd(111)
Paper

Synthesis of sinter-resistant Au@silica catalysts derived from Au25 clusters

Au25L18 clusters have been encapsulated in silica spheres to create sinter-resistant Au@SiO2 materials which are active and recyclable epoxidation catalysts.

Graphical abstract: Synthesis of sinter-resistant Au@silica catalysts derived from Au25 clusters
Paper

Acidity and accessibility studies of desilicated ZSM-5 zeolites in terms of their effectiveness as catalysts in acid-catalyzed cracking processes

The structural, textural and acidic characteristics of hierarchical ZSM-5 (Si/Al = 18–32), obtained with two desilication approaches, and the effect of these treatments on the reactivity in various cracking reactions of variable feedstock size and severity have been investigated.

Graphical abstract: Acidity and accessibility studies of desilicated ZSM-5 zeolites in terms of their effectiveness as catalysts in acid-catalyzed cracking processes
Paper

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.

Graphical abstract: Theoretical insights into the nature of synergistic enhancement in bimetallic CoTiAlPO-5 catalysts for ammonia activation
Paper

Surface composition and structural changes on titanium oxide-supported AuPd nanoparticles during CO oxidation

Catalysts with the same composition but different initial morphologies showed an unexpected morphological convergence after performing the CO oxidation reaction.

Graphical abstract: Surface composition and structural changes on titanium oxide-supported AuPd nanoparticles during CO oxidation
Paper

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.

Graphical abstract: Transient structural and catalytic behaviour of Pt-particles probed by operando spectroscopy during a realistic driving cycle
Open Access Paper

Metal dimer sites in ZSM-5 zeolite for methane-to-methanol conversion from first-principles kinetic modelling: is the [Cu–O–Cu]2+ motif relevant for Ni, Co, Fe, Ag, and Au?

Reaction energy landscapes for the direct conversion of methane to methanol over ZSM-5 for Cu, Ni, Co and Fe dimer sites.

Graphical abstract: Metal dimer sites in ZSM-5 zeolite for methane-to-methanol conversion from first-principles kinetic modelling: is the [Cu–O–Cu]2+ motif relevant for Ni, Co, Fe, Ag, and Au?
Paper

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.

Graphical abstract: Facile and benign conversion of sucrose to fructose using zeolites with balanced Brønsted and Lewis acidity
Communication

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.

Graphical abstract: Is iron nitride or carbide highly active for oxygen reduction reaction in acidic medium?
Paper

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.

Graphical abstract: Tryptophan lyase (NosL): mechanistic insights into amine dehydrogenation and carboxyl fragment migration by QM/MM calculations
Paper

Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand

Pincer-type ruthenium complexes incorporating an asymmetric negatively charged imidazolylidene were prepared and capable to oxidize water chemically and photo-chemically with high stability.

Graphical abstract: Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand
Paper

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.

Graphical abstract: Mechanistic insights into complete hydrogenation of 1,3-butadiene over Pt/SiO2: effect of Pt dispersion and kinetic analysis
Paper

Sulfur-tolerant BaO/ZrO2/TiO2/Al2O3 quaternary mixed oxides for deNOX catalysis

A novel AZT – supported NSR/LNT catalyst with enhanced sulfur regeneration performance.

Graphical abstract: Sulfur-tolerant BaO/ZrO2/TiO2/Al2O3 quaternary mixed oxides for deNOX catalysis
Paper

The selective oxidation of substituted aromatic hydrocarbons and the observation of uncoupling via redox cycling during naphthalene oxidation by the CYP101B1 system

Oxidation of polyaromatic hydrocarbons by P450s can be lowered by redox cycling but CYP101B1 regioselectively hydroxylated substituted naphthalenes and biphenyls.

Graphical abstract: The selective oxidation of substituted aromatic hydrocarbons and the observation of uncoupling via redox cycling during naphthalene oxidation by the CYP101B1 system
Paper

Tetronics/cyclodextrin-based hydrogels as catalyst-containing media for the hydroformylation of higher olefins

The rhodium-catalyzed hydroformylation of alkenes has been investigated under biphasic conditions using combinations of α-cyclodextrin (α-CD) and poloxamines (Tetronics®).

Graphical abstract: Tetronics/cyclodextrin-based hydrogels as catalyst-containing media for the hydroformylation of higher olefins
Paper

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.

Graphical abstract: Effect of hierarchical meso–macroporous structures on the catalytic performance of silica supported cobalt catalysts for Fischer–Tropsch synthesis
Paper

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.

Graphical abstract: Supported two- and three-dimensional vanadium oxide species on the surface of β-SiC
Paper

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.

Graphical abstract: Computer-aided rational design of Fe(iii)-catalysts for the selective formation of cyclic carbonates from CO2 and internal epoxides
Paper

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.

Graphical abstract: Water as a catalytic switch in the oxidation of aryl alcohols by polymer incarcerated rhodium nanoparticles
Paper

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.

Graphical abstract: 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
Paper

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.

Graphical abstract: Development of basicity in mesoporous silicas and metallosilicates
Paper

Bifunctionality of the pyrone functional group in oxidized carbon nanotubes towards oxygen reduction reaction

Oxidised carbon nanotubes were subjected to a controlled treatment at different temperatures under nitrogen.

Graphical abstract: Bifunctionality of the pyrone functional group in oxidized carbon nanotubes towards oxygen reduction reaction
Paper

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.

Graphical abstract: Computational exploration of ligand effects in copper-catalyzed boracarboxylation of styrene with CO2
Perspective

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.

Graphical abstract: Transition metal–phosphorus-based materials for electrocatalytic energy conversion reactions
Paper

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.

Graphical abstract: Synthesis and activation for catalysis of Fe-SAPO-34 prepared using iron polyamine complexes as structure directing agents
Open Access Perspective

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.

Graphical abstract: Forty years of temporal analysis of products
Paper

Elucidating and exploiting the chemistry of Keggin heteropolyacids in the methanol-to-DME conversion: enabling the bulk reaction thanks to operando Raman

To activate an HPA's bulk in the methanol-to-DME reaction: 1) dehydrate it, 2) pre-expose it to methanol at 25 °C.

Graphical abstract: Elucidating and exploiting the chemistry of Keggin heteropolyacids in the methanol-to-DME conversion: enabling the bulk reaction thanks to operando Raman
Paper

Fe/Fe3C@N-doped porous carbon hybrids derived from nano-scale MOFs: robust and enhanced heterogeneous catalyst for peroxymonosulfate activation

Fe/Fe3C@N-doped porous carbon hybrids were synthesized as a robust and enhanced heterogeneous catalyst for peroxymonosulfate activation.

Graphical abstract: Fe/Fe3C@N-doped porous carbon hybrids derived from nano-scale MOFs: robust and enhanced heterogeneous catalyst for peroxymonosulfate activation
Paper

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.

Graphical abstract: Tuning the confinement space of N-carbon shell-coated ruthenium nanoparticles: highly efficient electrocatalysts for hydrogen evolution reaction
Communication

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.

Graphical abstract: Improving the catalytic efficiency of carbon-based active sites by trace oxide promoters for highly productive olefin synthesis
Paper

Switching a nitrilase from Syechocystis sp. PCC6803 to a nitrile hydratase by rationally regulating reaction pathways

Based on this mechanism, a nitrilase was engineered to shift the reaction pathway from formation of acid to formation of amide.

Graphical abstract: Switching a nitrilase from Syechocystis sp. PCC6803 to a nitrile hydratase by rationally regulating reaction pathways
Paper

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.

Graphical abstract: Selective oxidation of propene to acrolein on FeMoTeO catalysts: determination of active phase and enhancement of catalytic activity and stability
Paper

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.

Graphical abstract: Phosphine-pyridonate ligands containing octahedral ruthenium complexes: access to esters and formic acid
Communication

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.

Graphical abstract: Palladium-catalyzed dehydrogenation of dihydro-heterocycles using isoprene as the hydrogen acceptor without oxidants
Open Access Paper

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.

Graphical abstract: 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
Paper

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.

Graphical abstract: Rational design of Fe catalysts for olefin aziridination through DFT-based mechanistic analysis
Minireview

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.

Graphical abstract: Aluminium fluoride – the strongest solid Lewis acid: structure and reactivity
Minireview

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.

Graphical abstract: Ménage-à-trois: single-atom catalysis, mass spectrometry, and computational chemistry
Paper

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.

Graphical abstract: Theoretical understanding on the selectivity of acrolein hydrogenation over silver surfaces: the non-Horiuti–Polanyi mechanism is the key
Paper

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 (10[1 with combining macron]1) prefers the carbide mechanism with high C2-hydrocarbon selectivity.

Graphical abstract: First-principles study of structure sensitivity of chain growth and selectivity in Fischer–Tropsch synthesis using HCP cobalt catalysts
Paper

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.

Graphical abstract: Out-of-plane FeII–N4 moiety modified Fe–N co-doped porous carbons as high-performance electrocatalysts for the oxygen reduction reaction
120 items - Showing page 1 of 2

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.

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