Publication
Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions
Publications associées (38)
Cluster Catalysis with Lattice Oxygen: Tracing Oxygen Transport from a Magnetite (001) Support onto Small Pt Clusters
Wolfgang Harbich, Giulia Elisabetta Pacchioni, Ke Zhang
Oxidation catalysis on reducible oxide-supported small metal clusters often involves lattice oxygen. The present work aims at differentiating whether the reaction takes place at the cluster/support interface or on the cluster. To that purpose, we trace the ...
AMER CHEMICAL SOC2021Atomic Level Insights of Non-Noble Metal Catalysts for the Oxygen Evolution Reaction
The conversion of intermittent renewable energy resources in the form of chemical bond, such as hydrogen production from electrochemical water splitting, is a promising way to satisfy the future global energy demand and address the environmental issues. Th ...
EPFL2021Mechanistic Studies of Two Ni-Catalyzed Reactions: Reductive Amidation of Esters with Nitroarenes and Hydrosilylation of Alkenes
Mechanistic investigations into homogeneously catalyzed reactions are essential for the fur-ther development of synthetic methodologies. Insights in the overall reaction pathway and vital steps such as the rate-determining and selectivity-determining steps ...
EPFL2020New Approach to Synthesis of Tetralin via Naphthalene Hydrogenation in Supercritical Conditions Using Polymer-Stabilized Pt Nanoparticles
Supercritical (SC) fluid technologies are well-established methods in modern green chemical synthesis. Using SC fluids as solvents instead of traditional liquids gives benefits of higher diffusivity and lower viscosity, which allows mass transfer intensifi ...
2020Mechanisms of the Heterogeneously Catalyzed Reaction of CO2 Hydrogenation on Transition Metal Surfaces
Renewable energy supply and energy storage in a closed materials cycle are the urgent global challenges of the 21st century. Carbon dioxide (CO2) hydrogenation over catalysts is a method to produce synthetic fuels from renewable energy in a CO2 neutral cyc ...
EPFL2020CO2 chemical transformations using metal-organic frameworks
During the last decades, intensive efforts have been applied to tackle the enormous emissions of CO2 into atmosphere. These efforts include not only developing efficient carbon capture techniques, but also the introduction of new ways to transform the capt ...
EPFL2020One-minute average horizontal wind velocity data (which has been corrected for air-flow distortion) from the Antarctic Circumnavigation Expedition (ACE) 2016/2017 legs 0 to 4.
Julia Schmale, Jenny Thomas, Sebastian Johannes Heinz-Josef Landwehr
Dataset abstract One-minute average horizontal wind velocity data from the Antarctic Circumnavigation Expedition (ACE) 2016/2017 legs 0 to 4. The data has been filtered for spurious observations and the true wind correction has been redone ...
2020One-minute average horizontal wind velocity data (not corrected for air-flow distortion) from the Antarctic Circumnavigation Expedition (ACE) 2016/2017 legs 0 to 4.
Julia Schmale, Jenny Thomas, Sebastian Johannes Heinz-Josef Landwehr
Dataset abstract This dataset contains the one-minute average horizontal wind velocity data from the Antarctic Circumnavigation Expedition (ACE) 2016/2017 legs 0 to 4. The data has been filtered for spurious observations and the true wind ...
2020Alkene hydrosilylation catalyzed by easily assembled Ni(II)-carboxylate MOFs
Xile Hu, Lichen Bai, Zhikun Zhang
We report the first Ni MOF catalysts for anti-Markovnikov hydrosilylation of alkenes. These catalysts are bench-stable and easily-assembled from simple Ni salts and carboxylic acids. The best catalyst gives turnover numbers up to 9500 and is robust even af ...
2019Exploring the Limitation of Molecular Water Oxidation Catalysts
Alberto Fabrizio, Michael Markus Busch
Linear free energy scaling relationships (LFESRs) and volcano plots are routinely used to assess the performance of heterogeneous electrocatalysts and have only recently been concretely exploited in homogeneous catalysis. These tools efficiently compare an ...
AMER CHEMICAL SOC2018