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Synthesis and electronic properties of a pentafluoroethyl-derivatized nickel pincer complex

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Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Luca Binci

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

Influence of Different Sterilization Methods on the Surface Chemistry and Electrochemical Behavior of Biomedical Alloys

Stefano Mischler, Brigitte Jolles-Haeberli, Anna Neus Igual Muñoz

Sterilization is a prerequisite for biomedical devices before contacting the human body. It guarantees the lack of infection by eliminating microorganisms (i.e., bacteria, spores and fungi). It constitutes the last fabrication process of a biomedical devic ...

2023

In-vivo investigation of electrochemical behavior of Ti and CoCrMo alloy in human synovial fluids

Yueyue Bao

With the development of modern medical techniques, the application of orthopedic implants has been continually increasing in recent years. Passive materials, such as Ti and its alloys as well as CoCrMo alloys, are widely used in artificial joints due to th ...

EPFL2023

Multielectron Redox Chemistry of Uranium by Accessing the plus II Oxidation State and Enabling Reduction to a U(I) Synthon

Rosario Scopelliti, Marinella Mazzanti, Ivica Zivkovic, Anne-Sophie Chauvin, Megan Renee Keener, Maxime Christian Gérard Tricoire

Thesynthesis of molecular uranium complexes in oxidation stateslower than +3 remains a challenge despite the interest for their multielectrontransfer reactivity and electronic structures. Herein, we report theone- and two-electron reduction of a U(III) com ...

2023

koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

Nicola Marzari, Nicola Colonna, Edward Baxter Linscott, Ngoc Linh Nguyen, Giovanni Borghi, Riccardo De Gennaro

Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional framework. These functionals impose a generalized piecewise linearity conditio ...

Amer Chemical Soc2023

Influence of aerosol acidity and organic ligands on transition metal solubility and oxidative potential of fine particulate matter in urban environments

Athanasios Nenes, Gerhard Lammel

The adverse health effects of air pollution around the world have been associated with the inhalation of fine particulate matter (PM2.5). Such outcomes are thought to be related to the induction of oxidative stress due to the excess formation of reactive o ...

Elsevier2023

Unraveling the Effect of the Chemical and Structural Composition of ZnxNi1-xFe2O4 on the Electron Transfer at the Electrochemical Interface

Mallikarjun Madagalam, Sandro Carrara

In order to deepen the understanding of the role of transition metal oxides in electron transfer at the electrochemical interface, the performance of ZnxNi1-xFe2O4 (x = 0, 0.2, 0.4, 0.6, 0.8, 1) nanomaterials in electrochemical sensing is studied. Nanomate ...

WILEY2023

Decoupling the Contributions of Different Instability Mechanisms to the PEMFC Performance Decay of Non-noble Metal O2-Reduction Catalysts

Vasiliki Tileli, Robin Pierre Alain Girod

Non-noble metal catalysts (NNMCs) hold the potential to replace the expensive Pt-based materials currently used to speed up the oxygen reduction reaction (ORR) in proton exchange membrane fuel cell (PEMFC) cathodes, but they feature poor durability that in ...

AMER CHEMICAL SOC2023

Zinc carboxylate optimization strategy for extending Al-air battery system's lifetime

Andreas Züttel, Liping Zhong, Thi Ha My Pham, Manhui Wei

Although Al-air batteries are expected to be the candidates for energy conversion systems in renewable energy market due to the higher energy density, richer reserves, and lighter mass of Al metal, the anode self-discharge is seen as a notorious issue that ...

ELSEVIER SCI LTD2023

Review on Uric Acid Recognition by MOFs with a Future in Machine Learning

Shaswati Mandal

Uric acid (UA) is produced from purine metabolism and serves as a prevalent biomarker for multiple diseases including cancer. Hyperuricemia or hypouricemia can cause multiple dysfunctions throughout the biological processes. Consequently, there is a pressi ...

Amer Chemical Soc2023

Hybridization driving distortions and multiferroicity in rare-earth nickelates

Nicola Marzari, Iurii Timrov, Michele Kotiuga, Luca Binci

For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, RNiO3, stand out for their rich phase diagram stemming from complex couplings ...

Amer Physical Soc2023

Development of new volcano-shaped microelectrodes for single cell electrochemistry, electrophysiology and impedance studies

Nicolas Grégoire Maïno

Micro- nano-electrodes have demonstrated superior performances in measuring attenuated intracellular action potentials from electrogenic cell cultures compared to traditional multi-electrode arrays. Yet, the understanding of the critical electrode features ...

EPFL2023

Tungsten oxide-based photoanodes: biomass valorization and the effects of oxygen vacancies

Nukorn Plainpan

Tungsten oxide-based materials have unique and intriguing properties as photoanode materials for solar energy conversion. The first part of the thesis focuses on the use of WO3 photoanodes for the oxidation of 5-(hydroxymethyl)furfural (HMF). Chapter one l ...

EPFL2023