Operando XAS insight in the redox dynamics of VOx species and reducible supports involved in oxidative dehydrogenation of alcohols

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Molecular Volcano Plots: Tools for Rationalizing and Predicting the Performance of Homogeneous Catalysts

The generation of catalyst design tools is important for developing both economically and environmentally friendly reactions. This thesis focuses on the use and development of such a tool, molecular volcano plots, which have the ability to estimate catalyt ...

EPFL2021

On the relevance of P poisoning in real-world DOC aging

Oliver Kröcher, Davide Ferri

Understanding the real aging of Diesel oxidation catalysts (DOC) is key to predict their useful lifetime. This work comprises a detailed study of a commercial DOC in its unused state and after use in vehicle for 288,000 km. The activity of the samples was ...

ELSEVIER2021

Inorganic and Metal-Organic Heterogeneous Catalysts for Hydrogen Energy Applications

Fatma Pelin Uran

The main focus of this thesis is the exploration of inorganic and metal-organic heterogeneous catalysts for hydrogen (H2) energy applications. In particular, we investigated metal nanoparticles (NPs) and metal-organic frameworks (MOFs) for their employment ...

EPFL2021

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

Hubert Girault, Sunny Isaïe Maye, Pekka Eero Peljo, 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

Computational Modeling of the Oxygen Evolution Reaction at Semiconductor-Water Interfaces: A Path Towards Breaking Linear Scaling Relationships

Patrick Gono

Photoelectrochemical water splitting is a promising source of clean, renewable fuel in the form of hydrogen. Despite extensive research endeavors, the widespread adoption of this technology is impeded due to suboptimal catalysts for the oxygen evolution re ...

EPFL2020

Aqueous Redox Flow Batteries Enhanced by Solid Boosters

Elena Zanzola

One of the main challenges for certain electricity production technologies (e.g. renewables) is the capability to supply energy according to the demand. It follows that storing energy is a possible solution to the inadequacy between production and demand. ...

EPFL2020

Synthesis and characterization of iron-clathrochelates and their applications in materials science

José Luis Bila

This thesis focuses on the design and the synthesis of mono- and dinuclear iron clathrochelate complexes and their applications in materials science. Dinuclear iron clathrochelate complexes can be synthesized in different oxidation states: i. as negative ...

EPFL2020

Redox Properties of Native and Damaged DNA from Mixed Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations

Ursula Röthlisberger, Ivano Tavernelli, Polydefkis Diamantis

The redox properties of two large DNA fragments composed of 39 base pairs, differing only by an 8-oxoguanine (8oxoG) defect replacing a guanine (G), were investigated in physiological conditions using mixed quantum mechanical/molecular mechanical (QM/MM) m ...

AMER CHEMICAL SOC2020

Fine-Tuning by Triple Bond of Carbazole Derivative Dyes to Obtain High Efficiency for Dye-Sensitized Solar Cells with Copper Electrolyte

Ulf Anders Hagfeldt, Li Zhang

Three novel dyes consisting of a 5,8,15-tris(2-ethylhexyl)-8,15-dihydro-SH-benzo[1,2-b:3,4-b':6,5-b '']tricarbazole (BTC) electron-donating group and a 4,7-bis(4-hexylthiophen-2-yl)benzo[c][1,2,5]thiadiazole (BTBT) pi-bridge with an anchoring group of phen ...

AMER CHEMICAL SOC2020

Lithium-Gold Reference Electrode for Potential Stability DuringIn SituElectron Microscopy Studies of Lithium-Ion Batteries

Nikolaos Nianias, Jing Hou, Vasiliki Tileli, Jialiang Fan, Tzu-Hsien Shen, Robin Pierre Alain Girod

Electrochemical liquid-phase transmission electron microscopy (TEM) is showing excellent promise in fundamental studies of energy-related processes including lithium-ion battery (LIB) cycling. A key requirement to accurately interpret the measurements and ...

2020

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

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