4.3 Article

Driftfusion: an open source code for simulating ordered semiconductor devices with mixed ionic-electronic conducting materials in one dimension

Journal

JOURNAL OF COMPUTATIONAL ELECTRONICS
Volume 21, Issue 4, Pages 960-991

Publisher

SPRINGER
DOI: 10.1007/s10825-021-01827-z

Keywords

Semiconductor device simulation; Numerical modelling; Drift-diffusion; Solar cells; Perovskites; Ionic-electronic conductors; Device physics

Funding

  1. UK Engineering and Physical Sciences Research Council [EP/J002305/1, EP/M025020/1, EP/M014797/1, EP/N020863/1, EP/R020574/1, EP/R023581/ 1, EP/L016702/1]
  2. European Research Council [742708]
  3. European Research Council (ERC) [742708] Funding Source: European Research Council (ERC)

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The recent emergence of lead-halide perovskites as active layer materials for thin film semiconductor devices has led to the development of new drift-diffusion models that consider both electronic and mobile ionic charge carriers. This study introduces Driftfusion, a versatile simulation tool for modeling one-dimensional semiconductor devices with mixed ionic-electronic conducting layers. Driftfusion allows users to simulate devices with multiple material layers and different charge carrier species, and it can also simulate transient optoelectronic device measurement protocols. Users have the flexibility to adjust carrier transport, generation, and recombination models, and the discrete interlayer interface approach simplifies the modeling process.
The recent emergence of lead-halide perovskites as active layer materials for thin film semiconductor devices including solar cells, light emitting diodes, and memristors has motivated the development of several new drift-diffusion models that include the effects of both electronic and mobile ionic charge carriers. In this work we introduce Driftfusion, a versatile simulation tool built for modelling one-dimensional ordered semiconductor devices with mixed ionic-electronic conducting layers. Driftfusion enables users to model devices with multiple, distinct, material layers using up to four charge carrier species: electrons and holes plus up to two ionic species. The time-dependent carrier continuity equations are coupled to Poisson's equation enabling transient optoelectronic device measurement protocols to be simulated. In addition to material and device-wide properties, users have direct access to adapt the physical models for carrier transport, generation and recombination. Furthermore, a discrete interlayer interface approach circumvents the requirement for boundary conditions at material interfaces and enables interface-specific properties to be introduced.

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