ChargeTransport.jl -- Simulating charge transport in semiconductors

ChargeTransport.jl simulates charge transport in semiconductors. To this end, it discretizes the semiconductor drift-diffusion equations via the Voronoi finite volume method as implemented in VoronoiFVM.jl.

Breaking Changes in v1.0.0 🚨

Version 1.0.0 introduces several important changes to improve the package's usability and maintainability:

• New Parameter System: Parameter files are replaced by parameter structs with explicit access (e.g., p = parameter_set(); p.foo)
• Unit Handling: Global unit factors are removed in favor of local unit factors from LessUnitful.jl (@local_unitfactors and ufac"")
• Constants Management: New globally available dimensionless constants object for physical constants
• API Changes:
  • Data type now takes a constants object as key word argument, defaults to standard constants.
  • Thermal voltage UT is removed from Params and replaced with temperature in relevant methods
  • eV not available any more, use explicit eV = q * V if needed

Special features

• heterostructures
• 1D, 2D and 3D simulations
• stationary and transient simulations
• IV curves and scan protocols
• an arbitrary amount of charge carriers may be added
• thermodynamically consistent, physics preserving numerical methods
• different charge carrier statistics per species (Boltzmann, Blakemore, Fermi-Dirac)

ChargeTransport.jl is a free software. For research purposes you may use it under the terms of the GNU Affero General Public License (AGPL). As a company you may contact any of the authors directly to obtain a commercial license. If you use this package in your work, you can download the citation information in the "About" section.

The following papers rely on ChargeTransport.jl

[1.] D. Abdel, P. Farrell and J. Fuhrmann. Assessing the quality of the excess chemical potential flux scheme for degenerate semiconductor device simulation. Optical and Quantum Electronics 53, 163 (2021).

[2.] 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).

[3.] 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).

[4.] D. Abdel, N. E. Courtier and P. Farrell. Volume exclusion effects in perovskite charge transport modeling. Optical and Quantum Electronics 55, 884 (2023).

[5.] B. Spetzler, D. Abdel, F. Schwierz, M. Ziegler and P. Farrell. The Role of Vacancy Dynamics in Two-Dimensional Memristive Devices. Advanced Electronic Materials (2023).

[6.] D. Abdel, A. Glitzky and M. Liero. Analysis of a drift-diffusion model for perovskite solar cells. Discrete and Continuous Dynamical Systems - Series B (2024).

[7.] D. Abdel, M. Herda, M. Ziegler, C. Chainais-Hillairet, B. Spetzler, P. Farrell. Numerical analysis and simulation of lateral memristive devices: Schottky, ohmic, and multi-dimensional electrode models. submitted (2024).

[8.] B. Spetzler, E. Spetzler, S. Zamankhani, D. Abdel, P. Farrell, K.-U. Sattler, M. Ziegler. Physics-Guided Sequence Modeling for Fast Simulation and Design Exploration of 2D Memristive Devices. (2025).

[9.] D. Abdel, J. Relle, T. Kirchartz, P. Jaap, J. Fuhrmann, S. Burger, C. Becker, K. Jäger, P. Farrell. Unravelling the mystery of enhanced open-circuit voltages in nanotextured perovskite solar cells. submitted (2025).