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Concept

Physique du solide

Publications associées (32)

Solvent- and catalyst-free reduction of CO2 with ammonia borane

Andreas Züttel, Liping Zhong, Youngdon Ko

Ammonia borane (AB) has been extensively studied as a solid-state hydrogen storage material. On the other hand, its reactivity with CO2 is still unclear, especially in the solid state. By carefully controlling the CO2 pressure and temperature, AB efficient ...

Royal Soc Chemistry2024

Flash Melting Amorphous Ice

Marcel Drabbels, Ulrich Lorenz, Gabriele Bongiovanni, Constantin Richard Krüger, Nathan Junior Mowry

Water can be vitrified if it is cooled at high rates, which makes it possible to outrun crystallization in so-called no man’s land, a range of deeply supercooled temperatures where water crystallizes rapidly. Here, we study the reverse process in pure wate ...

2024

Automatic and high-precision microseismic monitoring of progressive failure prior, during, and after tunnel excavation

Brice Tanguy Alphonse Lecampion, Seyyedmaalek Momeni, Christophe Nussbaum

Acoustic emission (AE) monitoring is commonly used to inspect the health of a structure continuously. During fracture processes elastic waves of AE are created and emitted, and sensors can capture these waves. The acquired signals can be processed to track ...

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

Vibrational NDT with Under-sampled Data through Physics-informed Neural Networks

Olga Fink

The vibrational response of solid materials and structural components is substantially governed by their mechanical and geometrical properties. Low-frequency vibrations and modal frequencies are sensitive to global geometrical deviations, while high-freque ...

2023

High-resolution scintillation detector for two-dimensional reconstruction

Arnaud Bertsch, Fabrizio Carbone, Alessandro Mapelli, Veronica Leccese, Michele Caldara

A scintillation device including a silicon plate having a rectangular shape and having a first side and a second side opposite the first side, wherein the first side includes a plurality of first channels arranged to be in parallel with each other extendin ...

2023

Coupled Rotary and Oscillatory Motion in a Second-Generation Molecular Motor Pd Complex

Lukas Pfeifer

Molecular machines offer many opportunities for the development of responsive materials and introduce autono-mous motion in molecular systems. While basic molecular switches and motors carry out one type of motion upon being exposed to an external stimulus ...

AMER CHEMICAL SOC2023

Atomic scale volume and grain boundary diffusion elucidated by in situ STEM

Johann Michler, Xavier Maeder, Laszlo Pethö

Diffusion is one of the most important phenomena studied in science ranging from physics to biology and, in abstract form, even in social sciences. In the field of materials science, diffusion in crystalline solids is of particular interest as it plays a p ...

Nature Portfolio2023

Synthesis of hyperbranched polyarylethenes by consecutive C–H vinylation reactions

Kay Severin, Albert Ruggi, Anastasia Gitlina

A novel procedure for the synthesis of polyarylethenes is described. Consecutive C–H vinylation reactions of tetraphenylethene with a triphenylethenyl triazene give hyperbranched polyarylethenes of variable sizes. The vinylation reactions are mediated by a ...

2023

Time-Resolved Scanning Ion Conductance Microscopy and Single-Molecule Spectroscopy

Samuel Mendes Leitão

The evolution of the 3D morphology is at the center of many relevant biological processes ranging from cellular differentiation to cancer invasion and metastasis. Microscopy techniques, such as electron microscopy (EM), super-resolution (SR) optical micros ...

EPFL2023

Anticancer ruthenium(II) tris(pyrazolyl)methane complexes with bioactive co-ligands

Paul Joseph Dyson

In comparison with Ru-II-arene compounds, the medicinal potential of homologous Ru-II-tpm compounds [tpm = tris(pyrazolyl)methane] is underexplored. Pyridine, 4-pyridinemethanol and four functionalized pyridines, synthesized from the esterification of 4-py ...

ROYAL SOC CHEMISTRY2022

Solid-state synthesis of a MOF/polymer composite for hydrodeoxygenation of vanillin

Wendy Lee Queen, Olga Trukhina, Vikram Vinayak Karve, Dragos-Constantin Stoian

A new solid-state method was used to introduce a furan-thiourea polymer into the pores of a MOF, Cr-BDC. Next, the activity of the new MOF-polymer composite containing Pd was assessed in the catalytic hydrodeoxygenation of vanillin, a biomass derived chemi ...

Royal Society of Chemistry2022

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Anne-Clémence Corminboeuf, Rubén Laplaza Solanas, Veronika Juraskova, Frédéric Célerse

Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and environme ...

2022

turboMagnon - A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory

Iurii Timrov

We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear spin-polarized fram ...

ELSEVIER2022

Performance and reproducibility of C-13 and N-15 hyperpolarization using a cryogen-free DNP polarizer

Hikari Ananda Infinity Yoshihara

The setup, operational procedures and performance of a cryogen-free device for producing hyperpolarized contrast agents using dissolution dynamic nuclear polarization (dDNP) in a preclinical imaging center is described. The polarization was optimized using ...

Nature Portfolio2022

Characterization of Chemisorbed Species and Active Adsorption Sites in Mg-Al Mixed Metal Oxides for High-Temperature CO2 Capture

Berend Smit, Kevin Maik Jablonka, Christopher Patrick Ireland

Mg-Al mixed metal oxides (MMOs), derived from the decomposition of layered double hydroxides (LDHs), have been purposed as adsorbents for CO2 capture of industrial plant emissions. To aid in the design and optimization of these materials for CO2 capture at ...

AMER CHEMICAL SOC2022

Modeling the origins of adhesive wear across scales

Son-Jonathan Pham-Ba

Friction and wear occur at every interface between solid materials. In the design of mechanical devices, it is desirable to be able to quantify and control the amount of friction and wear, as well as predict their evolution with time. ``Tribology'' is the ...

EPFL2022

Hole-induced anomaly in the thermodynamic behavior of a one-dimensional Bose gas

Riccardo Rota

We reveal an intriguing anomaly in the temperature dependence of the specific heat of a one-dimensional Bose gas. The observed peak holds for arbitrary interaction and remembers a superfluid-to-normal phase transition in higher dimensions, but phase transi ...

SCIPOST FOUNDATION2022

Copper-Phosphonate Lamella Intermediates Control the Shape of Colloidal Copper Nanocrystals

Raffaella Buonsanti, Jan Vávra, Dragos-Constantin Stoian, Valeria Mantella, Petru Pasquale Albertini, James Richard Pankhurst

Understanding the structure and behavior of intermediates in chemical reactions is key to developing greater control over the reaction outcome. This principle is particularly important in the synthesis of metal nanocrystals (NCs), where the reduction, nucl ...

2022

Insights on chemical and physical chloride binding in blended cement pastes

Karen Scrivener, Fabien Jacques Michel Georget, William Wilson

This study investigates chloride binding in blended cement pastes exposed to 0.5 M NaCl solutions (with and without pH adjustment) using X-ray diffraction and energy-dispersive X-ray spectroscopy image analysis (edxia). The aim is to better understand the ...

Pergamon-Elsevier Science Ltd2022