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Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Numerical simulations of cyclic voltammetry for lithium-ion intercalation in nanosized systems
T2 - finiteness of diffusion versus electrode kinetics
AU - Gavilán-Arriazu, E.M.
AU - Mercer, Michael P.
AU - Pinto, O.A.
AU - Oviedo, O.A.
AU - Barraco, D.E.
AU - Hoster, H.E.
AU - Leiva, E.P.M.
N1 - The final publication is available at Springer via http://dx.doi.org/10.1007/s10008-020-04717-9
PY - 2020/11/1
Y1 - 2020/11/1
N2 - The voltammetric behavior of Li(+)intercalation/deintercalation in/from LiMn(2)O(4)thin films and single particles is simulated, supporting very recent experimental results. Experiments and calculations both show that particle size and geometry are crucial for the electrochemical response. A remarkable outcome of this research is that higher potential sweep rates, of the order of several millivolts per second, may be used to characterize nanoparticles by voltammetry sweeps, as compared with macroscopic systems. This is in line with previous conclusions drawn for related single particle systems using kinetic Monte Carlo simulations. The impact of electrode kinetics and finite space diffusion on the reversibility of the process and the finiteness of the diffusion in ion Li / LiMn2O4(de)intercalation is also discussed in terms of preexisting modeling.
AB - The voltammetric behavior of Li(+)intercalation/deintercalation in/from LiMn(2)O(4)thin films and single particles is simulated, supporting very recent experimental results. Experiments and calculations both show that particle size and geometry are crucial for the electrochemical response. A remarkable outcome of this research is that higher potential sweep rates, of the order of several millivolts per second, may be used to characterize nanoparticles by voltammetry sweeps, as compared with macroscopic systems. This is in line with previous conclusions drawn for related single particle systems using kinetic Monte Carlo simulations. The impact of electrode kinetics and finite space diffusion on the reversibility of the process and the finiteness of the diffusion in ion Li / LiMn2O4(de)intercalation is also discussed in terms of preexisting modeling.
KW - Diffusion
KW - Electrodes
KW - Intelligent systems
KW - Kinetics
KW - Lithium
KW - Lithium compounds
KW - Manganese compounds
KW - Monte Carlo methods
KW - Particle size
KW - Electrochemical response
KW - Intercalation/deintercalation
KW - Kinetic monte carlo simulation
KW - Lithium ion intercalations
KW - Macroscopic systems
KW - Potential sweep rate
KW - Single-particle systems
KW - Voltammetric behaviors
KW - Cyclic voltammetry
U2 - 10.1007/s10008-020-04717-9
DO - 10.1007/s10008-020-04717-9
M3 - Journal article
VL - 24
SP - 3279
EP - 3287
JO - Journal of Solid State Electrochemistry
JF - Journal of Solid State Electrochemistry
SN - 1432-8488
ER -