Publications associées à DFT-metadynamics insights on the origin of the oxygen evolution kinetics at the (100)-WSe<inf>2</inf> surface

Publications associées (12)

Solar-driven hydrogen production using organic semiconductor nanoparticles

Photocatalytic solar water splitting is a promising technology for producing green hydrogen that has the potential to compete economically with other commercially utilized carbon-based fuels. While this field has existed for decades, there has yet to be a ...

EPFL2024

Modeling, design and economics of PEC devices

Alexandre Dominique M. Cattry

Photo-electrochemical (PEC) devices allow for converting solar energy into chemical energy and for the production of energetically dense solar fuels. Light absorption, charge separation and transport, electrochemical reactions, and ionic transport are requ ...

EPFL2024

Fuel cell energy generation system

François Maréchal, Shivom Sharma, Xinyi Wei

An energy production system (100) comprising a fuel cell (102), a combustion unit (103) connected to a flue gas outlet (108) of the fuel cell, the combustion unit configured for combustion of oxidizable components in flue gas output by the fuel cell, the c ...

2024

Visible-light driven water oxidation and oxygen production at soft interfaces

Hubert Girault, Astrid Johana Olaya Avendano, Jorge Gustavo Uranga, Julieta Soledad Riva

The visible light driven water oxidation reaction (WOR) by the organic electron acceptor 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-quinodimethane (TCNQF(4)) was studied at the water|butyronitrile interface. The WOR was performed at neutral pH, and without any ...

Royal Society of Chemistry2022

Highly Ordered and Thermally Stable FeRh Cluster Superlattice on Graphene for Low-Temperature Catalytic CO Oxidation

Harald Brune, Jean-Guillaume De Groot, Hao Yin

We report on bimetallic FeRh clusters with a narrow size-distribution grown on graphene on Ir(111) as a carbon-supported model catalyst to promote low-temperature catalytic CO oxidation. By combining scanning tunneling microscopy with catalytic performance ...

WILEY-V C H VERLAG GMBH2022

Atomic-Level Structure of Zinc-Modified Cementitious Calcium Silicate Hydrate

Karen Scrivener, David Lyndon Emsley, Paul Bowen, Manuel Cordova, Pinelopi Moutzouri, Amrit Venkatesh, Ziga Casar, Anna Morales Melgares

It has recently been demonstrated that the addition of zinc can enhance the mechanical strength of tricalcium silicates (C3S) upon hydration, but the structure of the main hydration product of cement, calcium silicate hydrate (C-S-H), in zinc modified form ...

AMER CHEMICAL SOC2022

Learning (from) the Electron Density: Transferability, Conformational and Chemical Diversity

Anne-Clémence Corminboeuf, Alberto Fabrizio, Andrea Grisafi, Ksenia Briling

Machine-learning in quantum chemistry is currently booming, with reported applications spanning all molecular properties from simple atomization energies to complex mathematical objects such as the many-body wavefunction. Due to its central role in density ...

2020

Photocatalytic degradation of binary and ternary mixtures of antibiotics: reactive species investigation in pilot scale

Sami Rtimi

The present study investigates the photocatalytic degradation of three quinolone antibiotics (i.e., Flumequine (FLU), Oxolinic Acid (OA) and Nalidixic Acid (NA)) in mono-, binary and ternary compound systems. The closed-loop step photo-reactor and TiO2 imp ...

INST CHEMICAL ENGINEERS2019

Silicon protected with atomic layer deposited TiO2: durability studies of photocathodic H-2 evolution

Michael Graetzel

The semiconducting materials used for photoelectrochemical (PEC) water splitting must withstand the corrosive nature of the aqueous electrolyte over long time scales in order to be a viable option for large scale solar energy conversion. Here we demonstrat ...

Royal Soc Chemistry2013

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

Pierre Vogel, Dean Markovic

The potential energy surfaces of the desulfinylation of prop-2-enesulfinic acid (13) in CH2Cl2 solution at -15 degrees C have been explored by quantum calculations and analyzed with kinetic data obtained for the reaction in absence or presence of additives ...

2009

Self-cleaning modified TiO2-cotton pretreated by UVC-light (185 nm) and RF-plasma in vacuum and also under atmospheric pressure

César Pulgarin, Juan Kiwi

Two new innovative findings presented in this study are: (a) TiO2-cotton fabrics obtained by pretreatment with UVC-light (185nm) at atmospheric pressure introduced functionalities into the cotton surface enabling the chelation/binding of TiO2. This was pos ...

2009

Catalytic abatement of volatile organic compounds assisted by non-thermal plasma - Part II. Optimized catalytic electrode and operating conditions

Albert Renken, Lioubov Kiwi

Catalytic purification of air containing 250 ppm of toluene assisted by non-thermal plasma was carried out with a novel dielectric barrier discharge (DBD) reactor with an inner electrode made of sintered metal fibers (SMF). The optimization of the reactor ...

2006