Publication

Expedited Screening of Active and Regioselective Catalysts for the Hydroformylation Reaction

Publications associées (30)

Tandem electrocatalytic CO2 reduction with Fe-porphyrins and Cu nanocubes enhances ethylene production

Raffaella Buonsanti, Anna Loiudice, Min Wang

Copper-based tandem schemes have emerged as promising strategies to promote the formation of multi-carbon products in the electrocatalytic CO2 reduction reaction. In such approaches, the CO-generating component of the tandem catalyst increases the local co ...

ROYAL SOC CHEMISTRY2022

Development of Cyclopentadienylcobalt(III) Catalyzed Asymmetric C-H Functionalizations

Kristers Ozols

Transition metal catalyzed C-H activation plays a major role in modern organic chemistry, affording mild, selective and atom-efficient protocols. Most of current developments in the field rely on the use of several precious metals. As a consequence, an int ...

EPFL2022

Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst

David Benjamin Roger Antoine Gajan, Pierrick Berruyer, Moreno Lelli, Zhuoran Wang

The structural characterization of supported molecular catalysts is challenging due to the low density of active sites and the presence of several organic/organometallic surface groups resulting from the often complex surface chemistry associated with supp ...

AMER CHEMICAL SOC2022

OSCAR: an extensive repository of chemically and functionally diverse organocatalysts

Anne-Clémence Corminboeuf, Alberto Fabrizio, Puck Elisabeth van Gerwen, Sergio Vela Llausi, Simone Gallarati, Rubén Laplaza Solanas

The automated construction of datasets has become increasingly relevant in computational chemistry. While transition-metal catalysis has greatly benefitted from bottom-up or top-down strategies for the curation of organometallic complexes libraries, the fi ...

ROYAL SOC CHEMISTRY2022

Electron probing of oxygen-evolving oxide catalysts

Tzu-Hsien Shen

Water splitting is one of the cleanest ways to store energy. The production of hydrogen and oxygen gases can be utilized in fuel cells to generate electricity, power, and heat. In the water splitting process, the oxygen evolution reaction (OER), taking pla ...

EPFL2022

Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution

Philip Robin Loche

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics ...

NATURE PORTFOLIO2022

Method of preparation of cdna library useful for efficient mrna sequencing and uses thereof

Bart Deplancke, Mustafa Demir, Riccardo Dainese, Daniel Alpern

The invention relates to methods for the preparation of method of preparation of cDNA library based on one or many RNA samples useful for efficient RNA sequencing and uses thereof. The invention further relates to related tools and kits useful in said meth ...

2022

Monitoring and understanding Cu catalyst dissolution during CO2 electroreduction

Jan Vávra

Electrochemical reduction of carbon dioxide is a promising approach to decrease the amount of anthropogenic CO2 being released into the atmosphere, provided that a surplus of renewable electrical energy is available. Copper based materials are at the cente ...

EPFL2022

Construction of Fe3O4 bridged Pt/g-C3N4 heterostructure with enhanced solar to fuel conversion

Michael Graetzel, Shaik Mohammed Zakeeruddin

In this study, we report the effects of co-catalysts of Pt nanoparticles and Fe3O4 clusters on photocatalytic behaviors of g-C3N4 (CN) and the use of the resulting photocatalyst for CO2 photoreduction to solar fuels in a flow reactor operated at room-tempe ...

ELSEVIER2022

Molecular Volcano Plots: Tools for Rationalizing and Predicting the Performance of Homogeneous Catalysts

Boodsarin Sawatlon

The generation of catalyst design tools is important for developing both economically and environmentally friendly reactions. This thesis focuses on the use and development of such a tool, molecular volcano plots, which have the ability to estimate catalyt ...

EPFL2021