Concept

Réaction exergonique

Publications associées (43)

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Wanda Andreoni, Fabio Pietrucci, Changru Ma

Absorption in amine solutions is a well-established advanced technology for CO2 capture. However, the fundamental aspects of the chemical reactions occurring in solution still appear to be unclear. Our previous investigation of aqueous monoethanolamine (ME ...

MDPI2023

What do we talk about, when we talk about single-crystal termination-dependent selectivity of Cu electrocatalysts for CO2 reduction? A data-driven retrospective

Kevin Rossi

We mine from the literature experimental data on the CO2 electrochemical reduction selectivity of Cu single crystal surfaces. We then probe the accuracy of a machine learning model trained to predict faradaic efficiencies for 11 CO2 reduction reaction prod ...

ROYAL SOC CHEMISTRY2023

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 SOC2021

Atomic Level Insights of Non-Noble Metal Catalysts for the Oxygen Evolution Reaction

Lichen Bai

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 ...

EPFL2021

HCN production from formaldehyde during the selective catalytic reduction of NOx with NH3 over V2O5/WO3-TiO2

Davide Ferri, Oliver Kröcher, Rob Jeremiah G. Nuguid

Raw exhaust gases may contain notable levels of formaldehyde that can negatively impact the efficiency of after -treatment systems. In the selective catalytic reduction (SCR) of NOx over V2O5/WO3-TiO2, formaldehyde was found to react with NH3 to produce HC ...

ELSEVIER2021

Non-equilibrium kinetics and trajectory thermodynamics of synthetic molecular pumps

Cristian Pezzato

A major goal in the design of synthetic molecular machines is the creation of pumps that can use the input of energy to transport material from a reservoir at low chemical potential to a different reservoir at higher chemical potential, thereby forming and ...

ROYAL SOC CHEMISTRY2020

Revisiting the concept of extents for chemical reaction systems using an enthalpy balance

Dominique Bonvin, Diogo Filipe Mateus Rodrigues

For the investigation of complex reaction systems, it has been proposed to decouple the various rate processes using a linear time-invariant transformation that is constructed from knowledge of stoichiometry, reaction enthalpies, inlet compositions and tem ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Mechanistic study of the photo‐generation of hydrogen by decamethylruthenocene

Hubert Girault, Pekka Eero Peljo, Manuel Alejandro Méndez Agudelo, Heron Vrubel, Micheal Diarmaid Scanlon, Laurent Alexis Clément Vannay, Sunny Isaïe Maye, Lucie Josette Renée Rivier

Hydrogen evolution by decamethylruthenocene (Cp*2RuII) was studied in detail highlighting that metallocenes are capable of photo‐reducing hydrogen without the need of an additional sensitizer. Electrochemical, gas chromatographic and spectroscopic (UV/vis, ...

2019

Metal-Free Electrophilic Alkynylation of Sulfenate Anions with Ethynylbenziodoxolone Reagents

Jérôme Waser, Stefano Nicolai, Franck Le Vaillant, Stephanie Grace Elizabeth Amos, Alec Gagnebin

Alkynyl sulfoxides are important building blocks with a unique reactivity in organic chemistry, but only a few reliable methods have been reported to synthesize them. A novel route to access alkynyl sulfoxides is reported herein by using ethynyl benziodoxo ...

2019

Remote C(sp(3))-H Arylation and Vinylation of N-Alkoxypyridinium Salts to delta-Aryl and delta-Vinyl Alcohols

Qian Wang, Jieping Zhu, Xu Bao

The reaction of readily available and bench-stable N-alkoxypyridinium salts with arylboronic and vinylboronic acids afforded delta-aryl and delta-vinyl alcohols, respectively, in the presence of fac-Ir(ppy)(3) and Cu(OTf)(2) dual catalysts. The reaction ta ...

WILEY-V C H VERLAG GMBH2019

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