Electrochemical Modeling of Commercial LiFePO4and Graphite Electrodes: Kinetic and Transport Properties and Their Temperature Dependence

Graphite electrodes in the lithium-ion battery exhibit various particle shapes, including spherical and platelet morphologies, which influence structural and electrochemical characteristics. It is well established that porous structures exhibit spatial heterogeneity, and particle morphology can influence transport properties. The impact of particle morphology on the heterogeneity and anisotropy of geometric and transport properties has not been previously studied. This study characterizes the spatial heterogeneities of eighteen graphite electrodes at multiple length scales by calculating and comparing structural anisotropy, geometric quantities, and transport properties (pore-scale tortuosity and electrical conductivity). We found that particle morphology and structural anisotropy play an integral role in determining the spatial heterogeneity of directional tortuosity and its dependency on pore-scale heterogeneity. Our analysis reveals that the magnitude of in-plane and through-plane tortuosity difference influences the multiscale heterogeneity in graphite electrodes.

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Spin-Orbit Coupling Effects on Transport Properties of Electronic Lieb Lattice in the Presence of Magnetic Field

10.21203/rs.3.rs-529388/v1 ◽

2021 ◽

Author(s):

Elham Sadeghi ◽

Hamed Rezania

Keyword(s):

Magnetic Field ◽

Thermal Conductivity ◽

Seebeck Coefficient ◽

Temperature Dependence ◽

Transport Properties ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Lieb Lattice ◽

Thermal Conductivities

Abstract In this paper, the transport properties of a two-dimensional Lieb lattice that is a line-centered square lattice are investigated in the presence of magnetic field and spin-orbit coupling. Specially, we address the temperature dependence of electrical and thermal conductivities as well as Seebeck coefficient due to spin-orbit interaction. We have exploited Green’s function approach in order to study thermoelectric and transport properties of Lieb lattice in the context of Kane-Mele model Hamiltonian. The results for Seebeck coefficient show the sign of thermopower is positive in the presence of spin-orbit coupling. Also the temperature dependence of transport properties indicates that the increase of spin-orbit coupling leads to decrease thermal conductivity however the decrease of gap 1 parameter causes the reduction of thermal conductivity. There is a peak in temperature dependence of thermal conductivity for all values of magnetic fields and spin-orbit coupling strengths. Both electrical and thermal conductivities increase with increasing the temperature at low amounts of temperature due to the increasing of transition rate of charge carriers and excitation of them to the conduction bands. Also we have studied the temperature dependence of spin susceptibility of Lieb monolayer due to both spin orbit coupling and magnetic field factors in details.

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