Edit gallery Charge ordering in BMIM-PF6 room temperature ionic liquid, as obtained from Molecular Dynamics simulations. Anions (red and orange) and cations (light and dark blue) are disposed in concentric shells. Correlations in the liquid persists up to several tens of angstroms and are responsible for the peculiar properties of this new class of materials. The VMD, Visual Molecular Dynamics, program was used to visualize and process the classical Molecular Dynamics trajectory. Rendering was performed using the Tachyon program.
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Edit gallery Structure of a room temperature ionic liquid in the presence of a dissolved lithium salt.
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Edit gallery Lithium-induced percolation networks form in room temperature ionic liquids, mostly due to the nature of the anions (that coordinate the lithium ions). These extended structures greatly affect transport properties and hinder conductivity [O. Andreussi and N. Marzari, 2014]
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Edit gallery Lithium-induced clustering in a room-temperature ionic liquid. While small, fairly spherical anions give rise to lithium-anion clusters. asymmetric anions lead to the formation of percolation networks, greatly decreasing lithium conductivity.
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Edit gallery TiO2 in the anatase structure, in the presence of a water adlayer and of a continuum dielectric. An implicit salvation model (O. Andreussi, I. Dabo and N. Marzari, J.Chem.Phys. 126, 064102 (2012)) correctly describes the electrostatic environment of the system and allows inexpensive modeling of realistic electrochemical environments.
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Edit gallery![a-si a-si](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---a-si.jpg.jpg)
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Edit gallery Selective covalent hydrogen functionalization of a parent honeycomb lattice of boron nitride as a possibility to realize a polar discontinuity Reference
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Edit gallery![LONG h2o c4h10n2 empty LONG h2o c4h10n2 empty](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---LONG_h2o_c4h10n2_empty.png.jpg)
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Edit gallery![nano0560 nano0560](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---nano0560.jpg.jpg)
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Edit gallery![Quasiquality Quasiquality](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---Quasiquality.jpg.jpg)
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Edit gallery![ch ch](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---ch.jpg.jpg)
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Edit gallery![nitro to amino minus nitro to amino minus](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---nitro_to_amino_minus.jpg.jpg)
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Edit gallery![Benzene NMR Benzene NMR](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---Benzene_NMR.png.jpg)
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Edit gallery![LONG Lee Marzari PRL06 LONG Lee Marzari PRL06](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---LONG_Lee_Marzari_PRL06.jpg.jpg)
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Edit gallery![LONG pointchargepotential LONG pointchargepotential](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---LONG_pointchargepotential.jpg.jpg)
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Edit gallery![twzr 1.5ps-35 twzr 1.5ps-35](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---twzr_1.5ps-35.png.jpg)
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Edit gallery![myo myo](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---myo.jpg.jpg)
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Edit gallery![dom wall 2 dom wall 2](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---dom_wall_2.png.jpg)
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Edit gallery![meth0175 meth0175](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---meth0175.jpg.jpg)
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Edit gallery![ts26ch4 ts26ch4](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---ts26ch4.jpg.jpg)
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Edit gallery![Li-RTIL Li-RTIL](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---Li-RTIL.jpg.jpg)
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Edit gallery![fig fig](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---fig.jpg.jpg)
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Edit gallery![nano fun nano fun](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---nano_fun.jpg.jpg)
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Edit gallery![Nanostructured surfaces Nanostructured surfaces](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---Nanostructured_surfaces.png.jpg)
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Edit gallery![LONG sicl h2o full LONG sicl h2o full](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---LONG_sicl_h2o_full.png.jpg)
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Edit gallery![PCBM PCBM](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---PCBM.png.jpg)
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Edit gallery![ch methyl.top ch methyl.top](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---ch_methyl.top.jpg.jpg)
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Edit gallery![6x6x6 cell scaled 6x6x6 cell scaled](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---6x6x6_cell_scaled.png.jpg)
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Edit gallery![frame perovskites frame perovskites](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---frame_perovskites.png.jpg)
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Edit gallery![ElectrochemicalModel ElectrochemicalModel](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th04---ElectrochemicalModel.jpg.jpg)
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Edit gallery![AgI AgI](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---AgI.jpg.jpg)
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Edit gallery![LONG periodic phonons small LONG periodic phonons small](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---LONG_periodic_phonons_small.png.jpg)
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Edit gallery![theos cake theos cake](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---theos_cake.jpg.jpg)
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Edit gallery![LONG arsenene MOSFET LONG arsenene MOSFET](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---LONG_arsenene_MOSFET.jpg.jpg)
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Edit gallery![LONG SnSe strain interface LONG SnSe strain interface](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---LONG_SnSe_strain_interface.png.jpg)
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Edit gallery Flexural phonons in a graphene field-effect transistor.
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Edit gallery Isosurface plots for the two maximally localised Wannier functions (MLWF) realising a two-band model that captures the low-energy physics of monolayer Jacutingaite.
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Edit gallery Heat conduction in dielectric solids originates from the dynamics of atomic vibrations. The ridges represent the quantum vibrational energy levels of the perovskite CsPbBr3. Heat conduction originates from both vibrations’ particle-like propagation (blurred spheres) and wave-like tunnelling between different energy levels (blue waves).
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Edit gallery Hydrodynamic heat flow in a graphitic device, obtained from the solution of the viscous heat equations. Color is related to temperature, with red warmer than blue.
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Edit gallery![theos cake 2 theos cake 2](http://theossrv1.epfl.ch/Main/Gallery?action=download&upname=th00---theos_cake_2.jpg.jpg)
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