Concept

Cristallographie

Publications associées (369)

Low-Loss Anisotropic Image Polaritons in van der Waals Crystal alpha-MoO3

Sergejs Boroviks

Orthorhombic molybdenum trioxide (alpha-MoO3), a newly discovered polaritonic van der Waals crystal, is attracting significant attention due to its strongly anisotropic mid-infrared phonon-polaritons. At the same time, coupling of polariton with its mirror ...
WILEY-V C H VERLAG GMBH2022

Computational Studies of the Proton-Coupled Metal Ion Transport in the SLC11/NRAMP Family of Transporters

Maria Letizia Merlini

In the last years, it has been demonstrated a link between the overload of metal ions inside nervous system cells and the onset of severe neurodegenerative diseases. This prompted the investigation of the structural and functional properties of transporter ...
EPFL2022

cell2mol: encoding chemistry to interpret crystallographic data

Rubén Laplaza Solanas, Yuri Cho, Sergio Vela Llausi

The creation and maintenance of crystallographic data repositories is one of the greatest data-related achievements in chemistry. Platforms such as the Cambridge Structural Database host what is likely the most diverse collection of synthesizable molecules ...
NATURE PORTFOLIO2022

Deformation twinning mechanism in magnesium at the microscale: strain rate, temperature and orientation effects

Nicolò Maria Della Ventura

The project aims to validate some recent theoretical developments on the deformation twinning nucleation mechanism in HCP metals through small-scale mechanic experiments. To this end, a systematic investigation of the mechanical response of pure magnesium ...
EPFL2022

Delayed Hydride Cracking in Irradiated and Unirradiated Zircaloy-2 Cladding

Aaron William Colldeweih

Zirconium alloys used in the nuclear industry are exposed to extreme conditions undergoing high levels of irradiation damage and corrosion. Zircaloy-2 is used as nuclear fuel cladding in boiling water reactors and for the encapsulation of the spallation ta ...
EPFL2022

Light-Responsive Oligothiophenes Incorporating Photochromic Torsional Switches

Kevin Sivula, Emilie Baudat, Giuseppe Sforazzini, Augustina Jozeliunaite

We present a quaterthiophene and sexithiophene that can reversibly change their effective pi-conjugation length through photoexcitation. The reported compounds make use of light-responsive molecular actuators consisting of an azobenzene attached to a bithi ...
WILEY-V C H VERLAG GMBH2022

Hot rocks: Constraining the thermal conditions of the Mistastin Lake impact melt deposits using zircon grain microstructures

Cyril Cayron

The production of superheated melt during hypervelocity impact events has been proposed to be a common occurrence on terrestrial planetary bodies. Recent direct evidence of superheated impact melt temperatures exceeding > 2370 degrees C from the Kamestasti ...
ELSEVIER2022

The concept of axial weak twins

Cyril Cayron

It is generally assumed that the parent-twin interface is a fully invariant plane. The calculations of the rational interfaces of the type I twins and irrational interfaces of the type II twins are based on this hypothesis. Recently, some asymmetric facets ...
PERGAMON-ELSEVIER SCIENCE LTD2022

Syntheses and Applications of Boronate Ester-Capped Clathrochelate Complexes

Ophélie Marie Planes

This thesis describes the syntheses of novel boronate ester-capped clathrochelate complexes and their application in supramolecular chemistry, materials science, and chemical biology. Chapter 2 shows the synthesis of long Fe(II) dinuclear clathrochelates, ...
EPFL2021

Importance of Nuclear Quantum Effects for NMR Crystallography

Michele Ceriotti, Venkat Kapil, Edgar Albert Engel

The resolving power of solid-state nuclear magnetic resonance (NMR) crystallography depends heavily on the accuracy of computational predictions of NMR chemical shieldings of candidate structures, which are usually taken to be local minima in the potential ...
AMER CHEMICAL SOC2021

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