Structure and properties of chalcogenides glasses
Chalcogenides glasses are know to exhibit a wide range of optical properties, such as high refractive indexes, wide infrared transparency windows or reversible amorphous-to-cristalline phase transition under illumination. Such features have paved the way to a large set of technological applications. A major challenge with those materials is that the rationalization and subsequent optimization of their properties is limited because their microscopic structure remains largely unknown.
We combine first-principles molecular dynamics simulations and spectroscopic investigations (solid-state NMR, X-ray and neutron scattering, …) to get some clues on the intimate structure of those special glasses. This work is done in collaboration with the Glass & Ceramics team of our lab.
Keywords | Chalcogenide glasses, Atomic structure, Molecular dynamics, Solid-state NMR, X-ray and neutron spectrocopies
People involved | Eric Furet
Role of the van der Waals interactions and impact of the exchange-correlation functional in determining the structure of glassy GeTe4
Homoleptic Platinum/Silver Superatoms Protected by Dithiolates: Linear Assemblies of Two and Three Centered Icosahedra Isolobal to Ne2 and I3–
Structurally Precise Dichalcogenolate-Protected Copper and Silver Superatomic Nanoclusters and Their Alloys
Molecular metalloborane compounds
People involved | Jean-François Halet