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Concept

Exergonic process

Publications associées (4)

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

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

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

The Water-Exchange Mechanism of the [UO2(OH2)5]2+ Ion Revisited: The Importance of a Proper Treatment of Electron Correlation

François Rotzinger

The water‐exchange mechanism of [UO2(OH2)5]2+ has been reinvestigated by using ab initio molecular orbital (MO) methods. The geometries and the vibrational frequencies were computed with CAS‐SCF(12/11)‐SCRF and CAS‐SCF(12/11)‐PCM methods, which take into a ...

2006