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Study on Li ion diffusion in LixV2O5 using first principle calculations and kinetic Monte Carlo simulations
(IOP Publishing, 2021-12)
We study the Li diffusion in Li x V2O5 (0 < x ≤ 1) - a potential cathode material for Lithium ion batteries. Different diffusion pathways in this material with dependence on the Li ion concentration are investigated by ...
KINETIC-STUDY OF LITHIUM ELECTROINSERTION IN TITANIUM-OXIDE THIN-FILMS
(Amer Chemical SocWashington, 1994)
First-principles investigation of Li ion diffusion in Li2FeSiO4
(2013)
We have studied the Li-ion migration and the electrochemical performance of Li2FeSiO4 in the monoclinic crystal structure with P21 symmetry and the related delithiated system LiFeSiO4. For this purpose, the framework of ...
Spectroelectrochemical Properties and Lithium Ion Storage in Self-Assembled Nanocomposites from TiO(2)
(AMER CHEMICAL SOC, 2010)
Layer-by-layer (LbL) nanocomposite films from TiO(2) nanoparticles and tungsten-based oxides (WO(x)H(y)), as well as dip-coating films of TiO(2) nano particles, were prepared and investigated by electrochemical techniques ...
The oxygen reduction reaction in solid oxide fuel cells: From kinetic parameters measurements to electrode design
(IOP Publishing, 2020-10)
The research and development of new Solid Oxide Fuel Cell cathode materials is an area of intense activity. The kinetic coefficients describing the O2-reduction mechanism are the O-ion diffusion (Dchem) and the O-surface ...
Modeling of cation diffusion in oxygen ion conductors using molecular dynamics
(Elsevier Science, 2004-11)
Cation diffusion in ionic conducting oxides is modelled using molecular dynamics (MD). As example systems LSGM (Sr- and Mg-doped LaGaO3; perovskite structure) and YSZ (Y-doped ZrO2; fluorite structure) were investigated. ...
Intercalation processes and diffusion paths of lithium ions in spinel-type structured Li(1+x)Ti(2)O(4): Density functional theory study
(Amer Physical Soc, 2008-02-01)
Intercalation processes and corresponding diffusion paths of Li ions into spinel-type structured Li(1+x)Ti(2)O(4) (0 <= x <= 0.375) are systematically studied by means of periodic density functional theory calculations for ...
Intercalation processes and diffusion paths of lithium ions in spinel-type structured Li(1+x)Ti(2)O(4): Density functional theory study
(Amer Physical Soc, 2008-02-01)
Intercalation processes and corresponding diffusion paths of Li ions into spinel-type structured Li(1+x)Ti(2)O(4) (0 <= x <= 0.375) are systematically studied by means of periodic density functional theory calculations for ...
Intercalation processes and diffusion paths of lithium ions in spinel-type structured Li1+x Ti2 O4: Density functional theory study
(2008-02-14)
Intercalation processes and corresponding diffusion paths of Li ions into spinel-type structured Li1+x Ti2 O4 (0≤x≤0.375) are systematically studied by means of periodic density functional theory calculations for different ...