Heterogeneous catalysts derived from metal-NHC precursors

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This dataset accompanies the publication "Distinguishing Inner and Outer-Sphere Hot Electron Transfer in Au/p-GaN Photocathodes" published in Nano Letters. The data can be used to reproduce the original plots in figures 2-4 in the main text and all origina ...

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 ...

Molecular volcano plots, which facilitate the rapid prediction of the activity and selectivity of prospective catalysts, have emerged as powerful tools for computational catalysis. Here, we integrate microkinetic modeling into the volcano plot framework to ...

Growing polymers inside porous metal-organic frameworks (MOFs) can allow incoming guests to access the backbone of otherwise non-porous polymers, boosting the number and/or strength of available adsorption sites inside the porous support. In the present wo ...

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 ...

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 ...

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 ...

Sustainable water oxidation requires low-cost, stable, and efficient redox couples, photosensitizers, and catalysts. Here, we introduce the in situ self-assembly of metal-atom-free organic-based semiconductive structures on the surface of carbon supports. ...

Au cours des 50 dernières années, les développements technologiques dans le domaine des transports et des télécommunications ont contribué à reconfigurer les comportements spatio-temporels (Kaufmann, 2008). Les individus bénéficient ainsi d’un large univer ...

Molecular uranium nitride complexes were prepared to relate their small molecule reactivity to the nature of the U & xe001;N & xe001;U bonding imposed by the supporting ligand. The U4+-U4+ nitride complexes, [NBu4][{(((BuO)-Bu-t)(3)SiO)(3)U}(2)(mu-N)], [NB ...

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- ...

Heterogeneous catalysts derived from metal-NHC precursors

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Dataset to accompany publication "Distinguishing Inner and Outer-Sphere Hot Electron Transfer in Au/p-GaN Photocathodes"

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

Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions

A post-synthetic modification strategy for enhancing Pt adsorption efficiency in MOF/polymer composites

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

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

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

Visible-Light-Driven Water Oxidation on Self-Assembled Metal-Free Organic@Carbon Junctions at Neutral pH

Swiss in motion : Analyser et visualiser les rythmes quotidiens. Une première approche à partir du dispositif Time-Machine

Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands

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