Liquid dynamics in ZrO2 nanoporous films

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

We study structural, dynamical, and electronic properties of liquid water through ab initio molecular dynamics (MD) simulations based on a hybrid functional which includes nonlocal van der Waals (vdW) interactions. The water dimer, the water hexamer, and t ...

Defects are inevitably present in nanofluidic systems, yet the role they play in nanofluidic transport remains poorly understood. Here, we report ab initio molecular dynamics (AIMD) simulations of the friction of liquid water on defective graphene and boro ...

We propose a new method to estimate the 6-dof trajectory of a flying object such as a quadrotor UAV within a 3D airspace monitored using multiple fixed ground cameras. It is based on a new structure from motion formulation for the 3D reconstruction of a si ...

The reactions of the tetrasiloxide U(III) complexes [U(OSi(OtBu)3)4K] and [U(OSi(OtBu)3)4][K18c6] with 0.5 equiv. of triphenylphosphine sulfide led to reductive S-transfer reactions, affording the U(IV) sulfide complexes [SU(OSi(OtBu)3)4K2]2, 1, and [{SU(O ...

We combine classical and ring polymer molecular dynamics simulations with the molecular jump model to provide a molecular description of the nuclear quantum effects (NQEs) on water reorientation and hydrogen-bond dynamics in liquid H2O and D2O. We show tha ...

A copper-catalyzed three-component reaction of alkenes, acetonitrile, and sodium azide afforded gamma-azido alkyl nitriles by formation of one C(sp3)-C(sp3) bond and one C(sp3)-N bond. The transformation allows concomitant introduction of two highly versat ...

Annular dark field scanning transmission electron microscopy (ADF-STEM) image simulations were performed for zone-axis-oriented light-element single crystals, using a multislice method adapted to include charge redistribution due to chemical bonding. Exami ...

Specific ion effects in aqueous solutions are investigated at the molecular, nanoscopic and macroscopic levels. Femtosecond elastic second harmonic scattering (fs-ESHS) is used here to assess the chemical effects of ions on molecular and nanoscopic length ...

The use of metal oxide overcoats over supported nanoparticle catalysts has recently led to impressive improvements in catalyst stability and selectivity. The deposition of alumina is especially important for renewable catalysis due to its robustness in liq ...

We investigate the terahertz dynamics of liquid H2O as a function of pressure along the 450 K isotherm, by coupled quasielastic neutron scattering and inelastic X-ray scattering experiments. The pressure dependence of the single molecule dynamics is anomal ...

It has been known for decades that certain aqueous salt solutions of LiCl and LiBr readily form glasses when cooled to below approximate to 160 K. This fact has recently been exploited to produce a "salty" high-pressure ice form: When the glass is compress ...

Liquid dynamics in ZrO2 nanoporous films

Chattez avec Graph Search

Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study

Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding

Flight Dynamics-based Recovery of a UAV Trajectory using Ground Cameras

Synthesis and reactivity of a terminal uranium(IV) sulfide supported by siloxide ligands

Nuclear Quantum Effects in Water Reorientation and Hydrogen-Bond Dynamics

Copper-Catalyzed Three-Component Carboazidation of Alkenes with Acetonitrile and Sodium Azide

Atomic bonding effects in annular dark field scanning transmission electron microscopy. I. Computational predictions

Orientational ordering of water in extended hydration shells of cations is ion-specific and is correlated directly with viscosity and hydration free energy

Catalyst stabilization by stoichiometrically limited layer-by-layer overcoating in liquid media

Dynamical Crossover in Hot Dense Water: The Hydrogen Bond Role

Ice VII from aqueous salt solutions: From a glass to a crystal with broken H-bonds