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(419) Production(s) de l'année 2017
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Modelling the surface of amorphous dehydroxylated silica: the influence of the potential on the nature and density of defects
Auteur(s): Halbert Stéphanie, Ispas S., Raynaud Christophe, Eisenstein Odile
(Article) Publié:
New Journal Of Chemistry, vol. 42 p.1356 - 1367 (2017)
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Exploring the jamming transition over a wide range of critical densities
Auteur(s): Ozawa M., Berthier L., Coslovich D.
(Article) Publié:
Scipost Physics, vol. 3 p.027 (2017)
Texte intégral en Openaccess :
Ref HAL: hal-01685133_v1
Ref Arxiv: 1705.10156
DOI: 10.21468/SciPostPhys.3.4.027
WoS: WOS:000418511900002
Ref. & Cit.: NASA ADS
Exporter : BibTex | endNote
15 Citations
Résumé: We numerically study the jamming transition of frictionless polydisperse spheres in three dimensions. We use an efficient thermalisation algorithm for the equilibrium hard sphere fluid and generate amorphous jammed packings over a range of critical jamming densities that is about three times broader than in previous studies. This allows us to reexamine a wide range of structural properties characterizing the jamming transition. Both isostaticity and the critical behavior of the pair correlation function hold over the entire range of jamming densities. At intermediate length scales, we find a weak, smooth increase of bond orientational order. By contrast, distorted icosahedral structures grow rapidly with increasing the volume fraction in both fluid and jammed states. Surprisingly, at large scale we observe that denser jammed states show stronger deviations from hyperuniformity, suggesting that the enhanced amorphous ordering inherited from the equilibrium fluid competes with, rather than enhances, hyperuniformity. Finally, finite size fluctuations of the critical jamming density are considerably suppressed in the denser jammed states, indicating an important change in the topography of the potential energy landscape. By considerably stretching the amplitude of the critical "J-line", our work disentangles physical properties at the contact scale that are associated with jamming criticality, from those occurring at larger length scales, which have a different nature.
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π-Conjugated Organosilica Semiconductors: Toward Robust Organic Electronics
Auteur(s): Roche Gilles, Thuau Damien, Valvin P., Clevers Simon, Tjoutis Thomas, Chambon Sylvain, Flot David, Geerts Yves H., Moreau Joël J. E., Wantz Guillaume, Dautel Olivier J.
(Article) Publié:
Advanced Electronic Materials, vol. 3 p.1700218 (2017)
Texte intégral en Openaccess :
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Phase transfer of TiO2 nanoparticles from water to ionic liquid triggered by phosphonic acid grafting
Auteur(s): Bhandary R., Alauzun J. G., Hesemann Peter, Stocco A., In M., Mutin P. Hubert
(Article) Publié:
Soft Matter, vol. 13 p.8023 - 8026 (2017)
Ref HAL: hal-01653105_v1
DOI: 10.1039/c7sm01424d
WoS: 000415352100002
Exporter : BibTex | endNote
11 Citations
Résumé: Controlling the interface between TiO2 nanocrystals and ionic liquids is of high fundamental and applied interest for energy storage and conversion devices. Phase transfer of nanoparticles from a synthesis medium to a processing or an application medium plays a significant role in nanotechnology. Here we demonstrate that surface modification with phosphonic acids bearing cationic end-groups can trigger the phase transfer of TiO2 nanoparticles from an aqueous sol to a typical water-immiscible ionic liquid, [Emim][NTf2]. The transfer involves both the grafting of the phosphonic acid moiety and the exchange of the counter ion of the cationic end-group by NTf2 anions, as demonstrated by solid-state NMR, elemental analysis and independent grafting and ion exchange experiments. Furthermore, the colloidal stability of the TiO2 sols in [Emim][NTf2] strongly depends on the hydrophobic character of the cationic end-groups.
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