Publications associées à Enthalpie standard de formation

Reactions of hypobromous acid with dimethyl selenide, dimethyl diselenide and other organic selenium compounds: kinetics and product formation

Selenium (Se) is an essential micronutrient for many living organisms particularly due to its unique redox properties. We recently found that the sulfur (S) analog for dimethyl selenide (DMSe), i.e. dimethyl sulfide (DMS), reacts fast with the marine oxida ...

Royal Soc Chemistry2024

Microstructure - Electrochemical Surface Reactivity Relationship of Electrochemically Grown Manganese Oxides Films

Roberto Cestaro

This Thesis provides a comprehensive and correlative investigation of the microstructure, chemical state, and electrochemical reactivity of manganese oxide (MnOx) films, aiming to gain a deeper understanding of the deposition and dissolution mechanism of M ...

EPFL2024

Pathways to enhance electrochemical CO2 reduction identified through direct pore-level modeling

Sophia Haussener, Etienne Boutin, Shuo Liu, Evan Fair Johnson

Electrochemical conversion of CO2 to fuels and valuable products is one pathway to reduce CO2 emissions. Electrolyzers using gas diffusion electrodes (GDEs) show much higher current densities than aqueous phase electrolyzers, yet models for multi-physical ...

2023

Electrolyte engineering via ether solvent fluorination for developing stable non-aqueous lithium metal batteries

Mounir Driss Mensi, Yubo Zhao

Fluorination of solvents, useful for non-aqueous lithium-based batteries, improves the electrochemical stability but decreases the ionic conductivity. Here, the authors report a targeted functionalization of an ether solvent to balance the electrolyte ioni ...

Nature Portfolio2023

Identifying the mediators of intracellular E. coli inactivation under UVA light: The (photo) Fenton process and singlet oxygen

César Pulgarin, Stefanos Giannakis

Solar disinfection (SODIS) was probed for its underlying mechanism. When Escherichia coli was exposed to UVA irradiation, the dominant solar fraction acting in SODIS process, cells exhibited a shoulder before death ensued. This profile resembles cell killi ...

PERGAMON-ELSEVIER SCIENCE LTD2022

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

Finite-size corrections of defect energy levels involving ionic polarization

Alfredo Pasquarello, Stefano Falletta, Julia Anna Wiktor

We develop a scheme for finite-size corrections of vertical transition energies and single-particle energy levels involving defect states with built-in ionic polarization in supercell calculations. The method accounts on an equal footing for the screening ...

2020

Evaluation of Total Reactive Oxide Ratios and Working Solution Ratios on Strength Development in Fly Ash-Based Geopolymers

Fly ash-based geopolymers are being developed as sustainable alternate binders for producing concrete. The consistent production of a stable geopolymeric binder suitable for use in structural applications from alkaline activation of low-calcium fly ash was ...

2020

Advances in heterogeneous catalysis for the synthesis of polyoxymethylene dimethyl ethers

Christophe Jean Baranowski

Our society is engaged in a major shift towards more sustainable industries. The required transition from fossils to renewable resources with low greenhouse gas emission is specifically challenging in the transportation sector where high thermal efficiency ...

EPFL2020

Unraveling and optimizing the metal-metal oxide synergistic effect in a highly active Co (CoO)1– catalyst for CO2 hydrogenation

Andreas Züttel, Emanuele Moioli, Loris Giovanni Lombardo, Wen Luo, Kun Zhao, Mo Li, Robin Tobias Andreas Mutschler, Marco Calizzi, Alexandre Borsay

The relation between catalytic reactivities and metal/metal oxide ratios, as well as the functions of the metal and the metal oxides were investigated in the CO2 hydrogenation reaction over highly active Cox(CoO)1–x catalysts in operando. The catalytic rea ...

2020

In Situ Liquid SAXS Studies on the Early Stage of Calcium Carbonate Formation

Andrea Testino, Mohammad Reza Andalibi, Agnese Carino

Calcium carbonate is a model system to investigate the mechanism of solid formation by precipitation from solutions, and it is often considered in the debated classical and nonclassical nucleation mechanism. Despite the great scientific relevance of calciu ...

2019

Extrinsic Defects in Amorphous Oxides: Hydrogen, Carbon, and Nitrogen Impurities in Alumina

Alfredo Pasquarello, Francesco Ambrosio, Zhendong Guo

We present a procedure for addressing extrinsic defects in amorphous oxides, in which the most stable defect configurations are identified through ab initio molecular dynamics in various charge states and studied through hybrid functional calculations. The ...

American Physical Society (APS)2019

Enhanced mineralization of atrazine by surface induced hydroxyl radicals over light-weight granular mixed-quartz sands with ozone

Stefanos Giannakis, Jun Ma, Da Wang, Shuang Song

A light-weight granular mixed-quartz sand (denoted as L-GQS) combined with stirring-assisted bubble column reactor was firstly applied in catalytic ozonation of atrazine. The L-GQS, with a density of 2.36 g cm(-3) and average diameter of ca. of 4 mm, was r ...

PERGAMON-ELSEVIER SCIENCE LTD2019

A combined hydrothermal gasification - solid oxide fuel cell system for sustainable production of algal biomass and energy

François Maréchal, Jan Van Herle, Christian Ludwig, Shivom Sharma, Eya Nicodeme, Hossein Madi

Hydrothermal gasification (HTG) is a promising technology that allows the recovery of nutrients from wet biomass with simultaneous production of an energy-rich gas. In this work, wastewater effluent (leachate) obtained from a composter sanitary system oper ...

2019

Kinetics of calcium sulfoaluminate with 1% iron oxide by isothermal and isoconversional methods

Xuerun Li, Yu Zhang

The influence of iron oxide (Fe2O3) on the formation and decomposition kinetics of calcium sulfoaluminate (C(4)A(3)$) formed from tricalcium aluminate and calcium sulfate was investigated by both isothermal and isoconversional methods. Rietveld quantitativ ...

Ice Publishing2017

Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry

Michael Graetzel, Andrey Petrov

We found for the first time a new origin of selection of perovskite crystallization pathways from DMF solutions containing MAI and PbI2 to present here a comprehensive study of a full set of essential intermediate phases determining the perovskite's morpho ...

American Chemical Society2017

Impact of water activity on the stability of ettringite

Karen Scrivener, Thomas Matschei

The stability of ettringite as function of temperature and water vapour pressure was studied on synthetic samples using X-ray diffraction, thermogravimetric analysis, sorption balance measurements and different calorimetry techniques. Crystalline ettringit ...

Pergamon-Elsevier Science Ltd2016

Nanocalorimetric platform for accurate thermochemical studies in microliter volumes

Martinus Gijs, Thomas Lehnert, Raphaël Etienne Jean Trouillon, Rima Padovani

A straightforward and general way for monitoring chemical reactions is via their thermal signature. Such approach requires however an experimental setup with a high thermal stability that simultaneously allows time-resolved heat detection with high sensiti ...

Royal Soc Chemistry2015

Temperature Sensitivity of Nanochannel Electrical Conductance

Philippe Renaud, Arnaud Bertsch, Mojtaba Taghipoor

Electrical measurement is a widely used technique for the characterization of nanofluidic devices. The electrical conductivity of electrolytes is known to be dependent on temperature. However, the similarity of the temperature sensitivity of the electrical ...

Amer Chemical Soc2015

Decamethylruthenocene Hydride and Hydrogen Formation at Liquid|Liquid Interfaces

Hubert Girault, Pekka Eero Peljo, Manuel Alejandro Méndez Agudelo, Thomas James Stockmann, Micheal Diarmaid Scanlon, Lucie Josette Renée Rivier

The formation and the dissociation of metal hydrides are key steps within the hydrogen evolution reaction (HER) pathway for photochemical water splitting, but also impacts a wide range of other catalytic, industrial, and biochemical reactions. Herein, we d ...

American Chemical Society2015