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

Abstract

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 , a versatile simulation tool built for modelling one-dimensional ordered semiconductor devices with mixed ionic-electronic conducting layers. 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.

Long‐Term Field Screening by Mobile Ions in Thick Metal Halide Perovskites: Understanding Saturation Currents

“…The time-dependent solutions of the transport equation of a model perovskite-based X-ray detector has been obtained with the aid of the driftfusion [34] open source code. Our simulations of the long-term reverse bias current response to bias voltage polarization can reproduce the main experimental trends, [10,12] including the herein defined regimes of ionic activation and electronic current final saturation.…”

“…For a start, the simulations were made within the framework of Driftfusion, [ 34 ] including both radiative and nonradiative recombination, and taking four main assumptions. First, the bulk of the perovskite is initially taken as intrinsic.…”

“…The following simulations consider chromium and platinum electrodes (see Figure 1c), as used in our previous experimental works, [ 10,33 ] whose WF mismatch (see Table S1, Supporting Information) can be assumed to result in a built‐in potential of V bi = 0.9 V. An illustrative set of simulation parameters is presented in Table S2, Supporting Information, and a comprehensive explanation of the use and setting up the Driftfusion code can be found in the original publication. [ 34 ] A representative initial equilibrium charge density profile is presented in Figure S1, Supporting Information, which corresponds to the concentration values for each stand‐alone layer before the device equilibrium profile when the interfaces are contacted.…”

“…The studied devices follow the simple Schottky-diode-like configuration from previous works [10,33] where up-to-millimeter-thick perovskite pellets are sandwiched between metals of different work function (WF), as schemed in Figure 1c. For the numerical simulations, the open source MATLAB code Driftfusion [34] was employed. Our results indicate the importance of interface phenomena and field screening behind the slow kinetics of thick PXDs.…”

IonMonger 2.0: software for free, fast and versatile simulation of current, voltage and impedance response of planar perovskite solar cells

“…Nevertheless there remain challenges, not only with the formulation of the charge transport model, but also with its accurate solution in parameter regimes of interest. The first published numerical scheme capable of solving such a model in relevant parameter regimes was presented in [20], while open source 1 software was made available only relatively recently by Courtier et al [19] and Calado et al [13]. The aim of this work is to publicise and describe an updated, and improved, version of the first of these two software packages.…”