Concept
Cristallographie
Publications associées (369)
Low-Loss Anisotropic Image Polaritons in van der Waals Crystal alpha-MoO3
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 GMBH2022Computational Studies of the Proton-Coupled Metal Ion Transport in the SLC11/NRAMP Family of Transporters
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 ...
EPFL2022cell2mol: 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 PORTFOLIO2022Deformation twinning mechanism in magnesium at the microscale: strain rate, temperature and orientation effects
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 ...
EPFL2022Delayed Hydride Cracking in Irradiated and Unirradiated Zircaloy-2 Cladding
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 ...
EPFL2022Light-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 GMBH2022Hot rocks: Constraining the thermal conditions of the Mistastin Lake impact melt deposits using zircon grain microstructures
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 ...
ELSEVIER2022The concept of axial weak twins
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 LTD2022Syntheses and Applications of Boronate Ester-Capped Clathrochelate Complexes
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, ...
EPFL2021Importance 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