Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions

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Biomass, especially lignin, is an attractive potential source for chemicals and fuels currently derived from petroleum. The valorisation of lignin is challenging due to its complex structure and the harsh conditions required for depolymerisation. Sub-nanom ...

Herein we report a platinum-catalyzed isomerization of cyclopropenes to 1,3-dienes. Diverse dienylated alcohols were obtained in 42-98 % yield. The synthetic potential of the products was demonstrated by their use in Diels-Alder cycloadditions with various ...

To curb the severe effects of climate change, our society needs to radically reduce its CO2 footprint. For the heavy-duty sector, where electrification is difficult, alternative fuels can be the solution. Methane-fueled engines have lower energy-specific C ...

Ni/Al2O3 is an active catalysts for CO2 hydrogenation to both CH4 and CO. By doping with Ga, we succeeded in shifting the selectivity of these catalysts almost completely toward CO. In-situ IR spectroscopy studies showed that the catalyst activity is direc ...

For the past two decades, linear free energy scaling relationships and volcano plots have seen frequent use as computational tools that aid in understanding and predicting the catalytic behavior of heterogeneous and electrocatalysts. Based on Sabatier's pr ...

Atomic design of a 2D-material such as graphene can be substantially influenced by etching, deliberately induced in a transmission electron microscope. It is achieved primarily by overcoming the threshold energy for defect formation by controlling the kine ...

The direct construction of stereogenic axes by enantioselective C-H arylation has been regarded as a very challenging transformation. Very few examples have been reported, despite the indisputable straight-forwardness of the methodology. This is due to the ...

Ruthenium complexes of the type [RuCl(eta(6)-arene)-(NN)]X (X = BF4 or BPh4) featuring an eta(6)-arene ligand modified with an imidazolium ring and incorporating the bis(azo) chelating (NN) ligands 2-hydroxyphenylbis(3,5-dimethylpyrazol-1-yl) methane or 2- ...

We report an efficient and controllable route to prepare magnetic tubular nanoreactors composed of a mesoporous SiO2 shell with iron-noble metal nanoparticles inside. The key of this method is to design and fabricate Fe nanoparticles encapsulated in a meso ...

A Knudsen flow reactor has been used to quantify surface functional groups on aerosols collected in the field. This technique is based on a heterogeneous titration reaction between a probe gas and a specific functional group on the particle surface. In the ...

Monodispersed Pd-nanoparticles (similar to 8nm) prepared via a modified microemulsion method were deposited on active carbon fibers (ACF) fabrics and studied in a semi-batch 1-hexyne liquid-phase hydrogenation. The catalyst Pd(0.45 wt%)/ACF demonstrated > ...

Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions

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Heterogeneous catalysts derived from metal-NHC precursors

Platinum-Catalyzed Isomerization of Cyclopropenes to 1,3-Dienes

Emission reduction by targeted transient operations in three-way catalysts for heavy-duty natural gas applications

Restructuring Ni/Al2O3 by addition of Ga to shift product selectivity in CO2 hydrogenation: The role of hydroxyl groups

The Genesis of Molecular Volcano Plots

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Intermolecular Pd(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes and Other Investigations into the Enantioselective Activation of Challenging C(sp3)-H Bonds

Base-Free Transfer Hydrogenation with an Ionic-Liquid-Supported Ruthenium eta(6)-Arene Bis(pyrazolyl)methane Catalyst

Preparation of Magnetic Tubular Nanoreactors for Highly Efficient Catalysis

Characterization of surface functional groups present on laboratory-generated and ambient aerosol particles by means of heterogeneous titration reactions

Monodispersed Pd-nanoparticles on carbon fiber fabrics as structured catalyst for selective hydrogenation