Materials Literature
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Room temperature ionic liquids (RTILs) are solvent with unusual properties, which are difficult to characterize experimentally because of their intrinsic complexity (large number of atoms, strong Coulomb interactions). Molecular simulations have therefore been essential in our understanding of these systems. Depending…
The spherical Fe3O4 with 300 nm in diameter was synthesized by typical thermal decomposition of Fe (III) organo-metallic precursor in polyol and polyacrylic acid. Fe-nanorods were prepared by reducing Fe (III) nitrate in presence of polyol-hydrazine-CTAB. Morphology and magnetic characterization of the nanoparticles w…
Atomistic calculations were carried out to investigate the mechanical properties of Pd crystals as a combined function of structural defects, hydrogen concentration and high temperature. These factors are found to individually induce degradation in the mechanical strength of Pd in a monotonous manner. In addition, def…
Recently, Seebeck coefficients of ferromagnetic conductors are found to be spin-dependent. However straightforward method of accurately determining its spin polarization is still to be developed. Here, we have derived a linear dependence of anomalous Nernst coefficient on anomalous Hall angle with scaling factor relat…
In this manuscript we report helium atom scattering (HAS) measurements of the structure of the first H2O layer on Au(111). The interaction between H2O and Au(111) is believed to be particularly weak and conflicting evidence from several indirect studies has suggested that water either grows as 3D ice crystals or as an…
New stable Volleyballenes Y20C60, La20C60, and Lu20C60 molecular clusters have been proposed using first-principles density functional theory studies. In conjunction with recent findings for the scandium system, these findings establish Volleyballene M20C60 molecules as a stable general class of fullerene family. All…
Reconfigurable metamaterials provide a flexible platform for nanophotonic technology
Tin monosulfide (SnS) is a naturally p-type semiconductor with a layered crystal structure, but no reliable n-type SnS has been obtained by conventional aliovalent ion substitution. In this work, carrier polarity conversion to n-type was achieved by isovalent ion substitution for polycrystalline SnS thin films on glas…
PURPOSE: To evaluate the use of three extrapolated semisolid magnetization transfer reference (EMR) methods to quantify amide proton transfer (APT) and nuclear Overhauser enhancement (NOE) signals in human glioma. METHODS: Eleven patients with high-grade glioma were scanned at 3 Tesla. aEMR(2) (asymmetric magnetizatio…
Uniform, well-dispersed, silver nanoparticles (AgNPs) were prepared by a simple chemical reduction method. The particles were synthesized via the reduction of AgNO3 by trisodium citrate and ascorbic acid as a surfactant. The resulting AgNPs were characterized by X-ray diffraction analysis, transmission electron micros…
Scalable computational modelling tools are required to guide the rational design of complex hierarchical materials with predictable functions. Here, we utilize mesoscopic modelling, integrated with genetic block copolymer synthesis and bioinspired spinning process, to demonstrate de novo materials design that incorpor…
The packing of cellulose nanocrystals (CNC) in the anisotropic chiral nematic phase has been investigated over a wide concentration range by small-angle X-ray scattering (SAXS) and laser diffraction. The average separation distance between the CNCs and the average pitch of the chiral nematic phase have been determined…
Surface-enhanced Raman scattering (SERS) has demonstrated single-molecule sensitivity and is becoming intensively investigated due to its significant potential in chemical and biomedical applications. SERS sensing is highly dependent on the substrate, where excitation of the localized surface plasmons (LSPs) enhances…
Functional shape memory alloys need to operate reversibly and repeatedly. Quantitative measures of reversibility include the relative volume change of the participating phases and compatibility matrices for twinning. But no similar argument is known for repeatability. This is especially crucial for many future applica…
Electrochemical in situ X-ray absorption spectroscopy (XAS) of 2D titanium carbide MXene is used to probe the mechanism of high capacitance of Ti3C2Tx MXene. Changes in the Ti oxidation state are detected during cycling, confirming that most of the capacitance of Ti3C2Tx is due to changes in the Ti oxidation state, i.…
This Perspective provides a contemporary understanding of the shape evolution of colloidal metal nanocrystals under thermodynamically and kinetically controlled conditions. It has been extremely challenging to investigate this subject in the setting of one-pot synthesis because both the type and number of seeds involv…
Porous solids are important as membranes, adsorbents, catalysts, and in other chemical applications. But for these materials to find greater use at an industrial scale, it is necessary to optimize multiple functions in addition to pore structure and surface area, such as stability, sorption kinetics, processability, m…
En vue du changement climatique et de la transition énergétique, le présent travail s’intègre dans le projet ANR VItESSE2 portant sur le stockage d’énergie électrique renouvelable et la valorisation du CO2 par hydrogénation en méthanol sur des catalyseurs au cuivre. Au cours de cette thèse, une méthode analytique pour…
Les « cell penetrating peptides » (CPPs) sont des vecteurs peptidiques capables de délivrer diverses molécules (acides nucléiques, protéines, peptides, petites molécules, etc.) à l'intérieur des cellules de mammifères. Notre laboratoire a élaboré le vecteur amphipatique secondaire CADY capable de transporter, indépend…
Ce travail de thèse a pour but d'améliorer la précision de mesure de la dosimétrie basée sur le transducteur en Nitrure de Gallium (GaN) et de développer son application en radiothérapie. L'étude comprend des phases de modélisation, de simulation et de caractérisation de cette réponse pour la radiothérapie externe et…