Daniele Fontanari
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View article: Rigidity‐Driven Structural Isomers in the NaCl–Ga<sub>2</sub>S<sub>3</sub> System: Implications for Energy Storage
Rigidity‐Driven Structural Isomers in the NaCl–Ga<sub>2</sub>S<sub>3</sub> System: Implications for Energy Storage Open
Alternative energy sources require the search for innovative materials with promising functionalities. Systems with unusual chemical properties represent an insufficiently explored domain, concealing unexpected features. Using diffraction …
View article: Atomic Structure and Dynamics of Unusual and Wide‐Gap Phase‐Change Chalcogenides: A GeTe<sub>2</sub> Case
Atomic Structure and Dynamics of Unusual and Wide‐Gap Phase‐Change Chalcogenides: A GeTe<sub>2</sub> Case Open
Brain‐inspired computing, reconfigurable optical metamaterials, photonic tensor cores, and many other advanced applications require next‐generation phase‐change materials (PCMs) with better energy efficiency and a wider thermal and spectra…
View article: coordinates
coordinates Open
coordinates for a dft simulations
View article: coordinates
coordinates Open
coordinates for a dft simulations
View article: coordinates
coordinates Open
coordinates for a dft simulations
View article: Decoding the Atomic Structure of Ga2Te5 Pulsed Laser Deposition Films for Memory Applications Using Diffraction and First-Principles Simulations
Decoding the Atomic Structure of Ga2Te5 Pulsed Laser Deposition Films for Memory Applications Using Diffraction and First-Principles Simulations Open
Neuromorphic computing, reconfigurable optical metamaterials that are operational over a wide spectral range, holographic and nonvolatile displays of extremely high resolution, integrated smart photonics, and many other applications need n…
View article: Decoding the Atomic Structure of Ga2Te5 PLD Films for Memory Applications using Diffraction and First-Principles Simulations
Decoding the Atomic Structure of Ga2Te5 PLD Films for Memory Applications using Diffraction and First-Principles Simulations Open
Neuromorphic computing, reconfigurable optical metamaterials operational over a wide spectral range, holographic and nonvolatile displays of extremely high resolution, integrated smart photonics and many other applications need phase-chang…
View article: Glassy and liquid Sb<sub>2</sub>S<sub>3</sub>: insight into the structure and dynamics of a promising functional material
Glassy and liquid Sb<sub>2</sub>S<sub>3</sub>: insight into the structure and dynamics of a promising functional material Open
High optical and electric contrast between the SET (crystalline) and RESET (amorphous) logic states is related to the different short and intermediate range order in orthorhombic and vitreous Sb 2 S 3 .
View article: Raman spectroscopy and DFT modelling of Tl2S-GeS2 crystals and glasses
Raman spectroscopy and DFT modelling of Tl2S-GeS2 crystals and glasses Open
View article: Deciphering Fast Ion Transport in Glasses: A Case Study of Sodium and Silver Vitreous Sulfides
Deciphering Fast Ion Transport in Glasses: A Case Study of Sodium and Silver Vitreous Sulfides Open
High-capacity solid-state batteries are promising future products for large-scale energy storage and conversion. Sodium fast ion conductors including glasses and glass ceramics are unparalleled materials for these applications. Rational de…
View article: Unexpected role of metal halides in a chalcogenide glass network
Unexpected role of metal halides in a chalcogenide glass network Open
Chalcogenide glasses containing light alkali and Group 11 (Cu, Ag) halides MY (Y = Cl, Br, I) exhibit high ionic conductivity while their heavy alkali counterparts show promising properties for optical applications. The structural role of …
View article: Chemically-invariant percolation in silver thioarsenate glasses and two ion-transport regimes over 5 orders of magnitude in Ag content
Chemically-invariant percolation in silver thioarsenate glasses and two ion-transport regimes over 5 orders of magnitude in Ag content Open
View article: Raman Spectroscopy and DFT Modelling of Tl2S-GeS2 Crystals and Glasses
Raman Spectroscopy and DFT Modelling of Tl2S-GeS2 Crystals and Glasses Open
View article: Unraveling the Atomic Structure of Bulk Binary Ga–Te Glasses with Surprising Nanotectonic Features for Phase-Change Memory Applications
Unraveling the Atomic Structure of Bulk Binary Ga–Te Glasses with Surprising Nanotectonic Features for Phase-Change Memory Applications Open
Binary Ge-Te and ternary Ge-Sb-Te systems belong to flagship phase-change materials (PCMs) and are used in nonvolatile memory applications and neuromorphic computing. The working temperatures of these PCMs are limited by low-T glass…
View article: MOLECULES PROBED WITH A SLOW CHIRPED-PULSE EXCITATION: ANALYTICAL MODEL OF THE FREE-INDUCTION-DECAY SIGNAL
MOLECULES PROBED WITH A SLOW CHIRPED-PULSE EXCITATION: ANALYTICAL MODEL OF THE FREE-INDUCTION-DECAY SIGNAL Open
A chirped pulse experiment is a powerful means to rapidly obtain an high-resolution spectrum of molecules on a large frequency band. The theoretical paper from McGurk \\textit{et al.}\\footnote{J. C. McGurk, T. G. Schmalz, and W. H. Flygar…
View article: Bulk Glassy GeTe<sub>2</sub>: A Missing Member of the Tetrahedral GeX<sub>2</sub> Family and a Precursor for the Next Generation of Phase-Change Materials
Bulk Glassy GeTe<sub>2</sub>: A Missing Member of the Tetrahedral GeX<sub>2</sub> Family and a Precursor for the Next Generation of Phase-Change Materials Open
Vitreous germanium disulfide GeS2 and diselenide GeSe2 belong to canonical chalcogenide glasses extensively studied over the past half century. Their high-temperature orthorhombic polymorphs are congruently melting co…
View article: Atypical phase-change alloy Ga<sub>2</sub>Te<sub>3</sub>: atomic structure, incipient nanotectonic nuclei, and multilevel writing
Atypical phase-change alloy Ga<sub>2</sub>Te<sub>3</sub>: atomic structure, incipient nanotectonic nuclei, and multilevel writing Open
Emerging brain-inspired computing needs phase-change materials of the next generation with lower energy consumption and wider temperature range. Gallium tellurides appear to be promising candidates enable to achieve the necessary requireme…
View article: Unexpected Role of Metal Halides in a Chalcogenide Glass Network
Unexpected Role of Metal Halides in a Chalcogenide Glass Network Open
View article: Chemical and Structural Variety in Sodium Thioarsenate Glasses Studied by Neutron Diffraction and Supported by First-Principles Simulations
Chemical and Structural Variety in Sodium Thioarsenate Glasses Studied by Neutron Diffraction and Supported by First-Principles Simulations Open
Sodium-conducting sulfide glasses are promising materials for the next generation of solid-state batteries. Deep insight into the glass structure is required to ensure a functional design and tailoring of vitreous alloys for energy applica…
View article: Characterization of the Observed Electric Field and Molecular Relaxation Times for Millimeter-Wave Chirped Pulse Instrumentation
Characterization of the Observed Electric Field and Molecular Relaxation Times for Millimeter-Wave Chirped Pulse Instrumentation Open
View article: Glassy GaS: transparent and unusually rigid thin films for visible to mid-IR memory applications
Glassy GaS: transparent and unusually rigid thin films for visible to mid-IR memory applications Open
An unusually rigid glassy GaS film obtained by PLD shows an excellent light-induced damage threshold promising for memory applications.
View article: Molecules probed with a slow chirped-pulse excitation: Analytical model of the free-induction-decay signal
Molecules probed with a slow chirped-pulse excitation: Analytical model of the free-induction-decay signal Open
International audience
View article: Bent HgI<sub>2</sub> Molecules in the Melt and Sulfide Glasses: Implications for Nonlinear Optics
Bent HgI<sub>2</sub> Molecules in the Melt and Sulfide Glasses: Implications for Nonlinear Optics Open
Nonlinear optical (NLO) crystals are widely used in advanced photonic technologies for second harmonic and difference frequency generation (SHG and DFG, respectively), producing coherent light at frequencies where existing lasers are unava…
View article: Conformational landscape and inertial defect of methoxyphenol isomers studied by mm-wave spectroscopy and quantum chemistry calculations
Conformational landscape and inertial defect of methoxyphenol isomers studied by mm-wave spectroscopy and quantum chemistry calculations Open
Because methoxyphenols (MP) are emitted in significant quantities during biomass fires and contribute to the secondary organic aerosols formation which impacts the climate, their gas phase monitoring in the atmosphere is crucial and requir…
View article: Ionic transport and atomic structure of AgI-HgS-GeS<sub>2</sub> glasses
Ionic transport and atomic structure of AgI-HgS-GeS<sub>2</sub> glasses Open
Quasi -ternary (AgI) x (HgS) 0.5− x /2 (GeS 2 ) 0.5− x /2 glasses, 10 −4 ≤ x ≤0.6 were studied over a wide composition range covering nearly 4 orders of magnitude in the mobile cation content. The glasses show a remarkable increase of the …
View article: MM-WAVE AND AB INITIO STUDIES OF THE CONFORMATIONAL LANDSCAPE OF METHOXYPHENOLS IDENTIFIED AS SOA PRECURSORS
MM-WAVE AND AB INITIO STUDIES OF THE CONFORMATIONAL LANDSCAPE OF METHOXYPHENOLS IDENTIFIED AS SOA PRECURSORS Open
Methoxyphenols are emitted in the atmosphere from biomass burning and recent works have shown the potential role of these oxygenated aromatic species in the formation of secondary organic aerosols \\footnote{A. Lauraguais, C. Coeur-Tourneu…
View article: Coherent states for the quantum complete rigid rotor
Coherent states for the quantum complete rigid rotor Open
View article: Modelisation of a gas phase polarization induced by a 200 GHz chirped pulse
Modelisation of a gas phase polarization induced by a 200 GHz chirped pulse Open
International audience
View article: High resolution study of the ν2 and ν5 rovibrational fundamental bands of thionyl chloride: Interplay of an evolutionary algorithm and a line-by-line analysis
High resolution study of the ν2 and ν5 rovibrational fundamental bands of thionyl chloride: Interplay of an evolutionary algorithm and a line-by-line analysis Open
The ν2 and ν5 fundamental bands of thionyl chloride (SOCl2) were measured in the 420 cm−1–550 cm−1 region using the FT-far-IR spectrometer exploiting synchrotron radiation on the AILES beamline at SOLEIL. A straightforward line-by-line ana…
View article: Quantum manifestations of Nekhoroshev stability
Quantum manifestations of Nekhoroshev stability Open