Publications associées à Liste de potentiels standard

Improving the photoelectrocatalytic efficiency of CuWO4 through molybdenum for tungsten substitution and coupling with BiVO4

A systematic investigation on the photoelectrocatalytic (PEC) performance of a series of CuW1-xMoxO4 materials with different Mo for W substitution (x = 0-0.8), successfully synthesized as single, transparent photoactive layers, allowed us to identify copp ...

Royal Soc Chemistry2024

Contrasting Views of the Electric Double Layer in Electrochemical CO2 Reduction: Continuum Models vs Molecular Dynamics

Sophia Haussener, Evan Fair Johnson

In the field of electrochemical CO2 reduction, both continuum models and molecular dynamics (MD) models have been used to understand the electric double layer (EDL). MD often focuses on the region within a few nm of the electrode, while continuum models ca ...

Amer Chemical Soc2024

Photochemical oxidation of phenols and anilines mediated by phenoxyl radicals in aqueous solution

Urs von Gunten, Silvio Canonica, Stephanie Christa Remke

Reactive intermediates formed upon irradiation of chromophoric dissolved organic matter (CDOM) contribute to the degradation of various organic contaminants in surface waters. Besides well-studied "short-lived" photo oxidants, such as triplet state CDOM (3 ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Enhanced transformation of aquatic organic compounds by long-lived photooxidants (LLPO) produced from dissolved organic matter

Urs von Gunten, Silvio Canonica, Stephanie Christa Remke

Dissolved organic matter (DOM) plays a crucial role in the photochemical transformation of organic contaminants in natural aquatic systems. The present study focuses on the characterization of a specific effect previously observed for electron-rich phenols ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Coincidence imaging spectroscopy of extreme-ultraviolet photoionisation processes in molecules and clusters

Andrew Daniel Bonnar Clark

Presented here is the design, construction and commissioning of a coincidence imaging spectroscopy endstation coupled to the Harmonium high-harmonic generation (HHG) extreme-ultraviolet photon source at the Lausanne Centre for Ultrafast Science. The endsta ...

EPFL2021

Electrochemical Stability of the Reconstructed Fe3O4(001) Surface

Klaus Kern

Establishing the atomic-scale structure of metal-oxide surfaces during electrochemical reactions is a key step to modeling this important class of electrocatalysts. Here, we demonstrate that the characteristic (root 2x root 2)R45 degrees surface reconstruc ...

Wiley-VCH Verlag GmbH2020

How to polarise an interface with ions: the discrete Helmholtz model

Hubert Girault, Astrid Johana Olaya Avendano, Grégoire Clément Gschwend

The distribution of electrolytes in an electric field usually relies on theories based on the Poisson-Boltzmann formalism. These models predict that, in the case of a metallic electrode, ionic charges screen the electrode potential, leading to concentratio ...

2020

Vanadium‐manganese redox flow battery: Study of Mn(III) disproportionation in the presence of other metallic ions

Hubert Girault, Pekka Eero Peljo, Sunny Isaïe Maye, Danick Reynard, Solène Cindy Gentil, Vimanshu Chanda

The Mn(III)/Mn(II) redox couple with a standard potential of +1.51 V vs . SHE has drawn interest for the design of V/Mn redox flow battery (RFB). However, Mn(III) disproportionation leads to a loss of capacity, an increase of pressure drop and electrode pa ...

Wiley2020

Cyclic degradation analysis of reversible Solid Oxide Cell short-stack

Jan Van Herle, Stefan Diethelm, Guillaume Jeanmonod, Philippe Aubin, Suhas Nuggehalli Sampathkumar, Maria del Mar Perez Fortes, David Constantin

The deployment of renewable energy systems has been increasing steadily in recent years. The intermittency associated with the renewable electricity supply can be addressed through the usage of energy storage and release systems. In this framework, reversi ...

2020

Standard ion transfer potential at the water|butyronitrile interface

Hubert Girault, Astrid Johana Olaya Avendano, Victor Costa Bassetto, Julieta Soledad Riva

Butyronitrile is an organic solvent stable enough to be used in photochemical reactions at liquid/liquid interfaces. However, it provides a rather short polarisation window making the analysis of ion transfer across the water|butyronitrile interface challe ...

2019

Reaction pathway of oxygen evolution on Pt(111) revealed through constant Fermi level molecular dynamics

Alfredo Pasquarello, Assil Bouzid, Patrick Gono

The pathway of the oxygen evolution reaction at the Pt(111)/water interface is disclosed through constant Fermi level molecular dynamics. Upon the application of a positive bias potential H2Oads and OHads adsorbates are found to arrange in a hexagonal latt ...

2019

Sequential Cascade Electrocatalytic Conversion of Carbon Dioxide to C-C Coupled Products

Sophia Haussener

Cascade catalytic processes perform multi-step chemical transformations without isolating the intermediates. Here, we demonstrate a sequential cascade pathway to convert CO2 to C2+ hydrocarbons and oxygenates in a two-step electrocatalytic process using CO ...

2019

Grand canonical simulations of electrochemical interfaces in implicit solvation models

Nicola Marzari, Oliviero Andreussi, Nicolas Georg Hörmann

We discuss grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments. Water is represented using implicit solvation, here via the self-c ...

AMER INST PHYSICS2019

H2-fuelled microbial metabolism in Opalinus Clay

Rizlan Bernier-Latmani, Luca Loreggian, Niels Burzan, Aislinn Ann Boylan, Carla Perez Mon

In Switzerland, the Opalinus Clay formation is considered the most likely host rock for a deep geological repository for nuclear waste. In deep geological repositories, H2 is expected to be the most abundant gas formed from the degradation of waste and fro ...

2019

Patchy Surfaces

Nikolaos Nianias

Tailoring solid surfaces attracts a number of technological and scientific interest with numerous applications. One method to modify a solid surface is via the formation of a molecular film. The adsorbed molecules assemble spontaneously (self assemble) for ...

EPFL2018

Contaminant loading and competitive access of Pb, Zn and Mn(III) to vacancy sites in biogenic MnO2

Louise Helene Soegaard Jensen, Jasquelin Peña

The scavenging properties of MnO2 are largely attributed to sorption on layer vacancy sites. However, co-occurrence of Mn(II, III) with MnO2 can change mineral reactivity by modifying its Mn(III) content or number of free vacancy sites. These processes are ...

2018

Rationalizing the In Vivo Degradation of Metal-on-Metal Artificial Hip Joints Using Tribocorrosion Concepts

Stefano Mischler, Shoufan Cao

In this study, the in vivo degradation of metal-on-metal (MoM) artificial hip joints was assessed based on the present state of the art concepts of tribocorrosion. A recently developed tribocorrosion model, based on the combination of mechanical and corros ...

Natl Assoc Corrosion Eng2017

Electrochemical Reduction of Protic Supercritical CO2 on Copper Electrodes

Victor Costa Bassetto, Alberto Battistel, Patrick Voyame, Olga Melchaeva

The electrochemical reduction of carbon dioxide is usually studied in aqueous solutions under ambient conditions. However, the main disadvantages of this method are high hydrogen evolution and low faradaic efficiencies of carbon-based products. Supercritic ...

Wiley-VCH Verlag Berlin2017

Equilibria and Speciation of Chloramines, Bromamines, and Bromochloramines in Water

Jeremy Samuel Arey, Daniela Trogolo

The stabilities and speciation of the halamines in water are difficult to characterize experimentally. We provide theoretical estimates of aqueous standard free energies of formation for inorganic chloramines, bromamines, and bromochloramines, based on hig ...

Amer Chemical Soc2017

Experimental and theoretical studies on electropolymerization of polar amino acids on platinum electrode

Christophe Roussel

The anodic oxidation of polar amino acids (L-serine, L-threonine, L-asparagine, and L-glutamine) in aqueous electrolyte on smooth platinum electrode was carried out by cyclic voltammetry coupled to electrochemical quartz crystal microbalance (EQCM). pH (zw ...

Elsevier2017