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Publications associées (24)

Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes

Kay Severin, Farzaneh Fadaei Tirani, Albert Ruggi, Anastasia Gitlina, Carolina Luciana Plaice

Luminescent Ir(C^N)3 complexes (C^N = cyclometalated arylpyridine ligand) exist in the form of two stable isomers with distinct photophysical and electrochemical properties: fac and mer. Herein, we show that fac-Ir(C^N)3 complexes can be converted into the ...

2022

Realistic Modelling of Dynamics at Nanostructured Interfaces Relevant to Heterogeneous Catalysis

Kevin Rossi

The focus of this short review is directed towards investigations of the dynamics of nanostructured metallic heterogeneous catalysts and the evolution of interfaces during reaction-namely, the metal-gas, metal-liquid, and metal-support interfaces. Indeed, ...

MDPI2022

Controllable CO adsorption determines ethylene and methane productions from CO2 electroreduction

Yang Li, Jun Li, Zhiwen Zhou, Hao Yang, Bo Zhang

Among all CO2 electroreduction products, methane (CH4) and ethylene (C2H4) are two typical and valuable hydrocarbon products which are formed in two different pathways: hydrogenation and dimerization reactions of the same CO intermediate. Theoretical studi ...

ELSEVIER2021

Shaping Copper Nanocatalysts to Steer Selectivity in the Electrochemical CO2 Reduction Reaction

Raffaella Buonsanti, Kevin Rossi

The carbon-neutral production of fuels and chemical feedstocks is one of the grand challenges for our society to solve. The electrochemical conversion of CO2 is emerging as a promising technology contributing to this goal. Despite the huge amount of progre ...

2021

Recent Advances in Catalytic Enantioselective Rearrangement

Qian Wang, Jieping Zhu, Hua Wu

Among the fundamental chemical transformations in organic synthesis, rearrangement has been recognized as powerful and reliable reactions for the construction of carbon-carbon or carbon-heteroatom bonds. Benefiting from the advance of the novel catalytic s ...

2019

Production and characterization of stabilized lignin

Masoud Talebi Amiri

Lignocellulosic biomass is a sustainable source of renewable carbon, and it is the most abundant form of terrestrial biomass. The three main constituents of lignocellulosic biomass are cellulose, hemicellulose, and lignin. The monomers from these biopolyme ...

EPFL2019

Fractionation of lignocellulosic biomass to produce uncondensed aldehyde-stabilized lignin

Jeremy Luterbacher, Masoud Talebi Amiri, Ydna Marie Questell-Santiago, Graham Reid Dick

Lignin is one of the most promising sources of renewable aromatic hydrocarbons. Current methods for its extraction from lignocellulosic biomass—which include the kraft, sulfite, and organosolv processes—result in the rapid formation of carbon–carbon bonds, ...

2019

Accurate molecular polarizabilities with coupled cluster theory and machine learning

Michele Ceriotti, David Mark Wilkins, Andrea Grisafi, Yang Yang

The molecular dipole polarizability describes the tendency of a molecule to change its dipole moment in response to an applied electric field. This quantity governs key intra- and intermolecular interactions, such as induction and dispersion; plays a vital ...

2019

Predicting Product Distribution of Propene Dimerization in Nanoporous Materials

Berend Smit

In this work, a theoretical framework is developed to explain and predict changes in the product distribution of the propene dimerization reaction, which yields a mixture of C-6 olefin isomers, resulting from the use of different porous materials as cataly ...

American Chemical Society2017

Combined Exergy Analysis and Energy Integration for the Optimization of Nitrogen Fertilizer Plants

François Maréchal, Daniel Alexander Florez Orrego, Shivom Sharma

Modern ammonia production plants are equipped with efficient energy integration networks able to recover an important fraction of the enthalpy of reaction released by the exothermic chemical systems. However, to fully supply the exergy demands of the highl ...

University of San Diego2017

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