VacancyAssistedChargeTransport.jl -- Numerical examples for analyzing the role of vacancy dynamics in innovative semiconductor devices
VacancyAssistedChargeTransport.jl includes all the required scripts and materials related to the PhD thesis
Modeling and simulation of vacancy-assisted charge transport in innovative semiconductor devices
by Dilara Abdel, which was submitted to the Freie Universität Berlin.
The provided examples in VacancyAssistedChargeTransport.jl depend on the package ChargeTransport.jl, which solves the drift-diffusion charge transport equations using the Voronoi finite volume method. This method is implemented through VoronoiFVM.jl.
The material is organized into four separate folders.
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LargeTimeBehavior: Here are example files that allow us to explore the large time behavior of the relative entropy with respect to the steady state and the quadratic
$L^2$ errors for drift-diffusion models. These models describe charge transport in both perovskite solar cells (PSC) and TMDC-based memristive devices. The findings for the perovskite solar cells have already been published in [2]. -
VolumeExclusion: Within this directory, we can discover files that comprehensively explore volume exclusion effects and their impact on perovskite charge transport modeling. Specifically, we compare a PSC charge transport model's internal states and current-voltage curves that rely on two different ionic current density descriptions. One of these descriptions assumes constant mobility, while the other considers a constant diffusion coefficient, with the remaining variable being density-dependent. Additional details can be found in [3].
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TMDCDynamics: In this directory, we find example files that allow us to validate the vacancy-assisted charge transport model against experimental hysteresis and pulse measurement data for lateral 2D
$\text{MoS}_2$ -based memristive devices. These files support the significance of vacancy dynamics in TMDC devices. For a comprehensive discussion of the simulation results, we refer to [4]. -
parameters: This directory summarizes all the essential physical parameters required for performing the simulations.
The example files provided here are capable of reproducing the numerical results and findings presented in the following research papers:
[1] D. Abdel, P. Vágner, J. Fuhrmann and P. Farrell. Modelling charge transport in perovskite solar cells: Potential-based and limiting ion depletion. Electrochimica Acta 390 (2021).
[2] D. Abdel, C. Chainais-Hillairet, P. Farrell and M. Herda. Numerical analysis of a finite volume scheme for charge transport in perovskite solar cells. IMA Journal of Numerical Analysis (2023).
[3] D. Abdel, N. E. Courtier and P. Farrell. Volume exclusion effects in perovskite charge transport modeling. Optical and Quantum Electronics 55, 884 (2023).
[4] B. Spetzler, D. Abdel, F. Schwierz, M. Ziegler and P. Farrell. The Role of Vacancy Dynamics in Two-Dimensional Memristive Devices. Advanced Electronic Materials (accepted) (2023).