Search results for "stacking"
showing 10 items of 215 documents
On the superconductivity of graphite interfaces
2014
We propose an explanation for the appearance of superconductivity at the interfaces of graphite with Bernal stacking order. A network of line defects with flat bands appears at the interfaces between two slightly twisted graphite structures. Due to the flat band the probability to find high temperature superconductivity at these quasi one-dimensional corridors is strongly enhanced. When the network of superconducting lines is dense it becomes effectively two-dimensional. The model provides an explanation for several reports on the observation of superconductivity up to room temperature in different oriented graphite samples, graphite powders as well as graphite-composite samples published i…
On the Structure and Chiral Aggregation of Liquid Crystalline Star‐Shaped Triazines H‐Bonded to Benzoic Acids
2020
The ability of a star-shaped tris(triazolyl)triazine derivative to hierarchically build supramolecular chiral columnar organizations through the formation of H-bonded complexes with benzoic acids was studied from a theoretical and experimental point of view. The combined study has been done at three different levels including the study of the structure of the triazine core, the association with benzoic acids in stoichiometry 1:3, and the assembly of 1:3 complexes in helical aggregates. Although the star-shaped triazine core crystallizes in a non-C3 conformation, the C3 -symmetric conformation is theoretically predicted to be more stable and gives rise to a favorable C3 supramolecular 1:3 co…
Synthesis and helical supramolecular organization of discotic liquid crystalline dibenzo[hi,st]ovalene
2019
Dibenzo[hi,st]ovalene (DBOV) has emerged as a new polycyclic aromatic hydrocarbon (PAH) with intriguing optical properties with strong red emission. Nevertheless, DBOV derivatives thus far synthesized either had mesityl groups that hinder the pi-pi stacking of the aromatic cores or showed low solubility, and the self-assembly of DBOVs has not been investigated. In this work, two 3,4,5-tris(dodecyloxy)phenyl (TDOP) groups are introduced at the meso-positions of DBOV in order to enhance its solubility without compromising the intermolecular interactions. The obtained DBOV-TDOP forms at elevated temperatures a discotic liquid crystalline phase. Due to pi-pi-stacking interactions as well as loc…
Unusual packing of ET molecules caused by π–π stacking interactions with TRISPHAT molecules in two [ET][TRISPHAT] salts (ET=bis(ethylenedithio)tetrat…
2007
Abstract The synthesis, structure and physical properties of two new radical salts formed with the organic donor bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF or ET) and a racemic mixture of the chiral anion (tris(tetrachlorobenzenediolato)phosphate(V)) (TRISPHAT) are reported. The structure of the salts (ET)4[TRISPHAT]4 · 3.5H2O (1) and (ET)(TRISPHAT) · CH2Cl2 · CH3CN (2) has been solved by X-ray single crystal diffraction. Unusual packings of ET molecules are obtained in the two structures. The electrical properties indicate that both compounds are insulators. This is in agreement with the isolation of the ET molecules and their complete ionization. On the other hand, the anisotropy of …
Radical salts of TTF derivatives with the metal-metal bonded [Re2Cl8]2- anion
2008
Abstract Four new salts of the radical cations of TMTSF (tetramethyltetraselenafulvalene), TMTTF (tetramethyltetrathiafulvalene), BEDT-TTF (bisethylenedithiotetrathia-fulvalene) (ET) and o-Me2TTF (o-4,4′-dimethyltetrathiafulvalene) with the metal–metal bonded dianion [Re2Cl8]2− were synthesized, and their structures and physical properties investigated. The structures of these semiconducting salts feature one-dimensional stacking of the donor molecules interleaved with [Re2Cl8]2− anions and interstitial solvent molecules.
Theoretical study of the interaction between sodium ion and a cyclopeptidic tubular structure.
2007
DFT calculations have been carried out to describe the pathway of a sodium ion along the stacking direction of a tubular structure set up by five cyclopeptidic units, which can be considered a suitable model of a hollow tubular structure of indefinite length. A lattice of points inside the tubular structure is defined and the DFT interaction energy values with a sodium ion are obtained. The data allow predicting a zigzag path of the ion inside the hosting structure. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2007
Visual Search Performance Depending on Target-Distractor Difference on Volumetric Display and Flat Panel Display
2019
The search items were demonstrated on the volumetric display and flat panel display. In contrast to the correct response rate, the search time and number of interactions were considerably affected by the type of visualization.
Le phénomène de racial stacking, où comment (ré)interroger les mécanismes de discrimination dans les pratiques sportives ?
2018
National audience; Mes travaux s’articulent autour de la notion d’exclusion / d’inclusion, en lien notamment avec la question de l’appartenance catégorielle des individus et des relations intergroupes. Mon intervention s’intéressera plus spécifiquement au concept de racial stacking, c’est-à-dire à des faits observables de discrimination raciale repérés in situ. En lien avec ce phénomène, seront discutés le rôle de la catégorisation sociale dans le processus de discrimination, et l’impact des stéréotypes sur les individus et leur comportement.
Nanovector formation by functionalization of TRAIL ligand on single-walled carbon nanotube: Experimental and theoretical evidences
2015
Équipe 104 : Nanomatériaux; International audience; The synthesis and the characterization of a novel nanovector based on oxidized single-walled carbon nanotubes (SWCNT) functionalized with tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) via noncovalent 1-pyrenebutanoic acid N-hydrosuccinimid ester (PSE) is described. Experimental noncovalent functionalized SWCNT by PSE are compared to full DFT theoretical predictions. For this, several experimental techniques are gathered to prove the well functionalization of oxidized SWCNT by pi-pi stacking such as micro Raman and XPS spectroscopy analysis coupled to full-DFT calculations. Scanning transmission electron microscopy (STEM) …
New Polylactic Acid Composites Reinforced with Artichoke Fibers
2015
In this work, artichoke fibers were used for the first time to prepare poly(lactic acid) (PLA)-based biocomposites. In particular, two PLA/artichoke composites with the same fiber loading (10% w/w) were prepared by the film-stacking method: the first one (UNID) reinforced with unidirectional long artichoke fibers, the second one (RANDOM) reinforced by randomly-oriented long artichoke fibers. Both composites were mechanically characterized in tensile mode by quasi-static and dynamic mechanical tests. The morphology of the fracture surfaces was analyzed through scanning electron microscopy (SEM). Moreover, a theoretical model, i.e., Hill's method, was used to fit the experimental Young's modu…