Publications related to Geometrically Balanced Metal Detector Based on Optimized Frequencies and Spatial Phase Profile Responses to Discriminate Different Metal Rods Features

Stabilization versus competing de-metalation, trans-metalation and (cyclo)-dehydrogenation of Pd porphyrins at a copper surface

Metal-porphyrins are studied intensively due their potential applications, deriving from the variety of electronic and chemical properties, tunable by selecting metal centers and functional groups. Metalation, de- and trans-metalation processes are fundame ...

Royal Soc Chemistry2024

A versatile platform for graphene nanoribbon synthesis, electronic decoupling, and spin polarized measurements

Donat Fabian Natterer, Johannes Schwenk

The on-surface synthesis of nano-graphenes has led the charge in prototyping structures with perspectives beyond silicon-based technology. Following reports of open-shell systems in graphene-nanoribbons (GNRs), a flurry of research activity was directed at ...

ROYAL SOC CHEMISTRY2023

Universal machine learning for the response of atomistic systems to external fields

Yaolong Zhang

Machine learned interatomic interaction potentials have enabled efficient and accurate molecular simulations of closed systems. However, external fields, which can greatly change the chemical structure and/or reactivity, have been seldom included in curren ...

Nature Portfolio2023

Frequency and time domains interactions in nanophotonics

Andrei Kiselev

In this thesis, we discuss the problems of scattering and optical manipulation related to nanosystems of different complexities. The multipolar decomposition method is used to represent scattering processes in nanosystems as a series of elementary excitati ...

EPFL2023

Copper Complexes with Diazoolefin Ligands and their Photochemical Conversion into Alkenylidene Complexes

Kay Severin, Rosario Scopelliti, Farzaneh Fadaei Tirani, Paul Varava, Bastiaan Kooij

Homometallic copper complexes with alkenylidene ligands are discussed as intermediates in catalysis but the isolation of such complexes has remained elusive. Herein, we report the structural characterization of copper complexes with bridging and terminal a ...

Wiley-VCH Verlag GmbH2023

Solar reduction of carbon dioxide on copper-tin electrocatalysts with energy conversion efficiency near 20%

Michael Graetzel, Shaik Mohammed Zakeeruddin, Yuhang Liu, Dan Ren, Jing Gao, Meng Xia, Jun Li

Solar-driven carbon dioxide reduction has witnessed a renaissance in the past decades, but the system suffers from low reaction rates. Here the authors develop a copper/tin-oxide electrocatalyst, achieving a new benchmark solar-to-CO energy conversion effi ...

Nature Portfolio2022

Controlling the magnetic and electric responses of dielectric nanoparticles via near-field coupling

Olivier Martin, Andrei Kiselev

Among the two materials families used in nanophotonics, the fundamental mode for metal nanostructures is electric, while that for dielectric nanostructures is magnetic. Consequently, the optical properties of hybrid dimers that incorporate both materials h ...

2022

Electromechanical investigations and quench experiments on sub-size HTS cables for high field EU-DEMO Central Solenoid

Ortensia Dicuonzo

The aim of this thesis is to investigate the mechanical and thermal behaviour of HTS coated conductor cables for EUROfusion DEMO magnets. One of the issue in large HTS magnets is the safety against a quench. A quench is a sudden thermal runway in which the ...

EPFL2022

Dipole polarizability of time-varying particles

Romain Christophe Rémy Fleury, Theodoros Koutserimpas, Mohammad Sajjad Mirmoosa

Invariance under time translation (or stationarity) is probably one of the most important assumptions made when investigating electromagnetic phenomena. Breaking this assumption is expected to open up novel possibilities and result in exceeding conventiona ...

2022

Impact of dipole-dipole interactions on motility-induced phase separation

Ignacio Pagonabarraga Mora, Elena Sesé Sansa

We present a hydrodynamic theory for systems of dipolar active Brownian particles which, in the regime of weak dipolar coupling, predicts the onset of motility-induced phase separation (MIPS), consistent with Brownian dynamics (BD) simulations. The hydrody ...

ROYAL SOC CHEMISTRY2022

Dipolar-stabilized first and second-order antiskyrmions in ferrimagnetic multilayers

Dirk Grundler, Ping Che

Skyrmions and antiskyrmions are topologically protected spin structures with opposite vorticities. Particularly in coexisting phases, these two types of magnetic quasi-particles may show fascinating physics and potential for spintronic devices. While skyrm ...

Nature Research2021

Defect formation and mitigation during laser powder bed fusion of copper

Carl Tore Viktor Lindström

Additive manufacturing (AM) is a group of processing technologies which has the potential to revolutionize manufacturing by allowing easy manufacturing of complex shapes and small series. One AM-method which is of high interest for processing of metals is ...

EPFL2021

Copper(ii) complexes with tridentate halogen-substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving groups and ligand flexibility on antiproliferative activities

Rosario Scopelliti

To investigate the effect of different halogen substituents and leaving groups and the flexibility of ligands on the anticancer activity of copper complexes, sixteen copper(ii) complexes with eight different tridentate Schiff-base ligands containing pyridi ...

ROYAL SOC CHEMISTRY2021

Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface

Théo Pierre Jaffrelot Inizan, Frédéric Célerse

Following our previous work (Chem. Sci. 2021, 12, 4889-4907), we study the structural dynamics of the SARS-CoV-2 Main Protease dimerization interface (apo dimer) by means of microsecond adaptive sampling molecular dynamics simulations (50 mu s) using the A ...

AMER CHEMICAL SOC2021

Impact of quantum-chemical metrics on the machine learning prediction of electron density

Anne-Clémence Corminboeuf, Alberto Fabrizio, Ksenia Briling

Machine learning (ML) algorithms have undergone an explosive development impacting every aspect of computational chemistry. To obtain reliable predictions, one needs to maintain a proper balance between the black-box nature of ML frameworks and the physics ...

AMER INST PHYSICS2021

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

Michele Ceriotti, David Mark Wilkins, Max David Veit, Yang Yang

The molecular dipole moment (mu) is a central quantity in chemistry. It is essential in predicting infrared and sum-frequency generation spectra as well as induction and long-range electrostatic interactions. Furthermore, it can be extracted directly-via t ...

AMER INST PHYSICS2020

Electron Beam Induced Copper Deposition from Carboxylate Precursors and the Study of Underlying Growth Mechanisms

Luisa Berger

The fabrication of defined and high-quality metal nanostructures is an ongoing topic of research. Direct-write deposition of copper nanostructures is of great value for many fields of research and industrial applications. Focused electron beam induced depo ...

EPFL2020

Instantaneous radiation from time-varying electric and magnetic dipoles

Romain Christophe Rémy Fleury, Mohammad Sajjad Mirmoosa

Radiation from magnetic and electric dipole moments is a key subject in the theory of electrodynamics. Although people treat the problem thoroughly in the context of the frequency domain, the problem is still not well understood in the context of the time ...

2020

Multimodal Response to Copper Binding in Superoxide Dismutase Dynamics

David Lyndon Emsley

Copper/zinc superoxide dismutase (SOD) is a homodimeric metalloenzyme that has been extensively studied as a benchmark for structure-function relationships in proteins, in particular because of its implication in the familial form of the neurodegenerative ...

AMER CHEMICAL SOC2020

Activation of small molecules promoted by multimetallic complexes supported by redox active ligands

Davide Toniolo

The activation of small molecule is a topic of high current interest. A variety of homogeneous end heterogeneous catalysts have been studied to be able to promote chemical transformation of industrial relevance under mild condition and therefore decrease t ...

EPFL2020