Building K–C Anode with Ultrahigh Self‐Diffusion Coefficient for Solid State Potassium Metal Batteries Operating at −20 to 120 °C
Sign Up to like & getrecommendations! Published in 2023 at "Advanced Materials"
DOI: 10.1002/adma.202209833
Abstract: Solid state potassium (K) metal batteries are intriguing in grid‐scale energy storage, benefiting from the low cost, safety, and high energy density. However, their practical applications are impeded by poor K/solid electrolyte (SE) interfacial contact… read more here.
Keywords: potassium metal; state potassium; diffusion; metal batteries ... See more keywords
Optical Analysis of Oxygen Self‐Diffusion in Ultrathin CeO2 Layers at Low Temperatures
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DOI: 10.1002/aenm.201802120
Abstract: We thank Herbert Over from the Institute of Physical Chemistry at the JLU Giessen for sharing his knowledge and experience and helping improve the manuscript. Financial support was provided by the DFG via the GrK… read more here.
Keywords: programme; optical analysis; analysis oxygen; self diffusion ... See more keywords
Self-diffusion of nanoscale particles with hard and soft sphere models
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DOI: 10.1007/s00396-020-04643-2
Abstract: The diffusion of particles in suspension is investigated by a thermostat based on fluctuating hydrodynamics for dynamic simulations of implicit-solvent coarse-grained model which can take into account both hydrodynamic and Brownian effects. Particles with cut-and-shifted… read more here.
Keywords: diffusion; nanoscale particles; self diffusion; long time ... See more keywords
Computer Experiments on Self-diffusion Coefficients of Some Liquid Metals
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DOI: 10.1007/s11669-021-00868-y
Abstract: The available experimental self-diffusion coefficients of twenty-two liquid elements near their melting temperatures are compared with the calculated data by the first-principal dynamics simulation. The holistic evaluation shows that the calculated self-diffusion coefficients are in… read more here.
Keywords: diffusion; diffusion coefficient; diffusion coefficients; computer experiments ... See more keywords
Correlation for self-diffusion coefficients of H2, CH4, CO, O2 and CO2 in supercritical water from molecular dynamics simulation
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DOI: 10.1016/j.applthermaleng.2020.114941
Abstract: Abstract Molecular dynamics simulations were employed for the calculation of self-diffusion coefficients of H2, CH4, CO, O2 and CO2 in supercritical water over a wide range of temperature (673–973 K) and pressure (250–280 atm). Based on our… read more here.
Keywords: self diffusion; coefficients ch4; supercritical water; diffusion coefficients ... See more keywords
The relationship between self-diffusion activation energy and Soret coefficient in binary liquid mixtures
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DOI: 10.1016/j.ces.2021.116660
Abstract: Abstract The Soret effect is an observed phenomenon in which an applied temperature gradient will induce a concentration gradient in multicomponent mixtures. The Soret coefficient is the ratio of thermally driven diffusion to mutual diffusion… read more here.
Keywords: diffusion; activation energy; self diffusion; soret coefficient ... See more keywords
An evaluation of the self-diffusion coefficient of liquid hydrogen via the generic van der Waals equation of state and modified free volume theory
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DOI: 10.1016/j.chemphys.2020.110952
Abstract: Abstract The modified free volume (MFV) theory was applied to evaluation of the self-diffusion coefficient of liquid hydrogen in which the nuclear quantum effect appears. The free volume of the hydrogen was defined via the… read more here.
Keywords: theory; self diffusion; liquid; diffusion coefficient ... See more keywords
A combined experimental and molecular dynamics study of the relation between the limiting molar conductivities and self-diffusion coefficients of acetonitrile solution
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.138246
Abstract: Abstract The empirical equation, λ∞ ∼ (D/T)s, relates the limiting ionic molar conductivity (λ∞) to the self-diffusion coefficient (D) of a solvent in water and methanol, where s is a parameter and T is the… read more here.
Keywords: self diffusion; acetonitrile solution; diffusion coefficients; molecular dynamics ... See more keywords
Calculation of self-diffusion coefficient and surface tension of liquid alkali metals using square-well fluid
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DOI: 10.1016/j.fluid.2019.01.007
Abstract: Abstract The self-diffusion coefficient (D) and the surface tension (γ) of the liquid alkali metals such as cesium (Cs) and rubidium (Rb) were calculated based on the Einstein's relation in a wide range of densities… read more here.
Keywords: diffusion coefficient; self diffusion; surface tension;
Square-well self-diffusion coefficients in liquid binary alloys of alkali metals within the mean spherical approximation
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.06.283
Abstract: Abstract The concentration dependencies of the self-diffusion coefficients in liquid Na–K and K–Cs alloys at T = 373 K are calculated in the framework of the linear trajectory approximation in conjunction with the square-well (SW) model treated by… read more here.
Keywords: coefficients liquid; square well; diffusion; diffusion coefficients ... See more keywords
Ionic self-diffusion of Na2O–Al2O3–SiO2 glasses from molecular dynamics simulations
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Non-crystalline Solids"
DOI: 10.1016/j.jnoncrysol.2019.119734
Abstract: Abstract The structure of alkali aluminosilicate glasses (NAS) as a function of the molar ratio of Al/Na (RAl/Na) were investigated by using classical molecular dynamics simulations and validated by comparing with the high energy X-ray… read more here.
Keywords: ionic self; diffusion; molecular dynamics; self diffusion ... See more keywords