Publications associées à Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)(2)] (ptp=2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes

Publications associées (37)

Synthesis of Mono- and Multimetallic Complexes of f-Elements in Low Oxidation States for Small Molecule Activation

The chemistry of the f-elements, especially uranium, in very low oxidation states has seen significant advances in the last two decades. These low-valent species have often been demonstrated to be crucial in the activation of small molecules such as N2 and ...

EPFL2025

Photo-Fenton inactivation of MS2 bacteriophage at alkaline pH by Fe salts or nm to μm-sized oxides, and the Janus-faced effects of natural organic matter in surface waters

César Pulgarin, Stefanos Giannakis

In this study, MS2 bacteriophage was inactivated by homogeneous and heterogeneous photo-Fenton processes in an alkaline matrix (pH 8) using low concentrations of H2O2 and iron forms (1 mg/L), including Fe(II), Fe(III), and Fe (hydr)oxides. As a reference, ...

Elsevier2024

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

Sylvain Alexandre Marie Sudan

The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...

EPFL2024

Modulation of Ionically Generated Space Charge Effects at Hybrid Perovskite and Oxide Interfaces via Surface Modification

Michael Graetzel

Interfacial space charges significantly influence transport and recombination of charge carriers in optoelectronic devices. Due to the mixed ionic-electronic conducting properties of halide perovskites, not only electronic effects, but also ionic interacti ...

Wiley2024

Enhanced Leaching of Zinc Ferrite by the Formation of a Solid Solution With Magnetite in Hydrochloric Acid Solution

Marian Nida Sagarino Lumongsod-Thompson

The high zinc and iron contents of electric arc furnace (EAF) dust in the forms of zinc ferrite (ZnFe2O4) and magnetite (Fe3O4) make it a valuable secondary source of these metals. ZnFe2O4 and Fe3O4 are known to form a solid solution at all compositions, a ...

SPRINGER2023

Phase Transformation-Induced Interfacial Debonding of Silica Inclusions in Iron

Julie Nathalie S Gheysen, Andreas Mortensen, Alejandra Inés Slagter, David Hernandez Escobar

We document that in unstressed, undeformed, samples of pure iron containing silica inclusions precipitated by melt deoxidation, the iron matrix and a small fraction of the silica inclusions are locally separated at room temperature by a void. Thermal cycli ...

Springer2023

A data-driven interpretation of the stability of organic molecular crystals

Michele Ceriotti, Edgar Albert Engel

Due to the subtle balance of intermolecular interactions that govern structure-property relations, predicting the stability of crystal structures formed from molecular building blocks is a highly non-trivial scientific problem. A particularly active and fr ...

ROYAL SOC CHEMISTRY2023

Tuning the reactivity of uranium towards small molecules in multimetallic complexes

Nadir Jori

One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...

EPFL2023

Nitrogen Fixation and Hydrogen Evolution by Sterically Encumbered Mo-Nitrogenase

Wenyu Gu

The substrate-reducing proteins of all nitrogenases (MoFe, VFe, and FeFe) are organized as alpha 2ss2(gamma 2) multimers with two functional halves. While their dimeric organization could afford improved structural stability of nitrogenases in vivo, previo ...

AMER CHEMICAL SOC2023

Bacterial inactivation in sunlit surface waters is dominated by reactive species that emanate from the synergy between light, iron, and natural organic matter

César Pulgarin, Stefanos Giannakis, Jun Ma

In this study, the synergistic and antagonistic effects of Fe species and coexisting natural organic matter (NOM) on the efficacy of solar light disinfection of water are investigated. Different initial iron species (Fe2+/Fe3+) and naturalorganic matter ty ...

Elsevier2023

Bridging Native and Intrinsic Structures of Microhydrated Biomolecules by Cold Ion Spectroscopy

Andrei Zviagin

Solving native structures of such large molecules, like biomolecules, is often challenging, particularly due to the potentially infinite number of non-covalent interactions with water. In this thesis, we report the use of cold ion gas-phase action spectros ...

EPFL2023

Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

Tomasz Poreba

Barocaloric (BC) materials provide cheaper and more energy efficient alternatives to traditional refrigerants. Some liquid alkanes were recently shown to exhibit a colossal BC effect, matching the entropy changes in commercial vapour-liquid refrigerants. D ...

Royal Soc Chemistry2023

Murunskite - a new class of functional material

Davor Tolj

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

EPFL2023

Spectroscopic characterisation of TCV divertor towards a detached regime

Lorenzo Martinelli

The challenge of power exhaust of the high heat and particle fluxes foreseen for ITER and the forthcoming nuclear fusion reactors can be mitigated by operating in a detached divertor regime. This regime has been the object of three decades of studies, as i ...

EPFL2023

Ion-Dipole Interaction Enabling Highly Efficient CsPbI3 Perovskite Indoor Photovoltaics

Michael Graetzel, Shaik Mohammed Zakeeruddin, Haizhou Lu

Metal halide perovskites are ideal candidates for indoor photovoltaics (IPVs) because of their easy-to-adjust bandgaps, which can be designed to cover the spectrum of any artificial light source. However, the serious non-radiative carrier recombination und ...

Wiley-V C H Verlag Gmbh2023

Architecture-Controllable Single-Crystal Helical Self-assembly of Small-Molecule Disulfides with Dynamic Chirality

Lukas Pfeifer

Beyond the common supramolecular helical polymers in solutions, controlling single-crystal helical self-assembly with precisely defined chirality and architectures has been challenging. Here, we report that simply merging static homochiral amino acids with ...

AMER CHEMICAL SOC2023

Advancing first principle-based molecular dynamics of biological systems with machine learning

François Louis Mouvet

Molecular dynamics (MD) simulations have emerged as a transformative approach to analyse molecular systems at the atomic level, offering valuable insights into complex biological processes. Many biological phenomena can only accurately be described by inco ...

EPFL2023

Correlation properties of a one-dimensional repulsive Bose gas at finite temperature

Riccardo Rota

We present a comprehensive study shedding light on how thermal fluctuations affect correlations in a Bose gas with contact repulsive interactions in one spatial dimension. The pair correlation function, the static structure factor, and the one-body density ...

IOP Publishing Ltd2023

Effect of different ions on dissolution rates of silica and feldspars at high pH

Karen Scrivener, Mahsa Bagheri

The dissolution kinetics of silica-containing minerals in aggregates influences strongly the process of ASR in concrete. In this paper, the effect of different ions on the dissolution rates of SiO2 (amorphous and quartz) and feldspars at high pH values was ...

Pergamon-Elsevier Science Ltd2022

Modeling non-covalent interactions in condensed phase

Veronika Juraskova

The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...

EPFL2022