IonMonger: a free and fast planar perovskite solar cell simulator with coupled ion vacancy and charge carrier dynamics

Courtier, Nicola E.; Cave, James M.; Walker, Alison B.; Richardson, Giles; Foster, Jamie M.

doi:10.1007/s10825-019-01396-2

Cited by 65 publications

(86 citation statements)

References 26 publications

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“…By fitting steady-state experimental data to the ectypal diode equation, the values of physical parameters can be estimated and used as inputs to dynamic numerical simulations, which should enable researchers to achieve improved accuracy between theory and experiment for transient J -V data. Such numerical simulations can be carried out using our open-source PSC simulation tool [43]. Alongside detailed numerical modeling, the ectypal diode equation offers researchers in the field of PSCs a valuable and practical tool with which to quantify the effects of ionic accumulation and charge-carrier recombination on the steady-state performance of PSCs.…”

Section: Discussionmentioning

confidence: 99%

“…To perform the simulations, we use the open-source IonMonger simulation tool described in detail in Ref. [43]. The model consists of a full set of drift-diffusion equations for the ion vacancy, electron and hole densities, coupled to Poisson's equation for the electric potential.…”

Section: B Numerical Simulation Methodsmentioning

confidence: 99%

“…Example of the unusual J -V characteristics of a PSC, reproduced by numerical simulations of a time-dependent charge-transport model for ion migration and charge-carrier transport using the IonMonger simulation tool [43]. (a) The "ideality factor" computed using the dark J -V method, described in Sec.…”

Section: B Numerical Simulation Methodsmentioning

confidence: 99%

“…This plot demonstrates that the different recombination mechanisms correspond to different values of the representative value of the measured ectypal factor (that which would usually be referred to as an ideality factor). The representative value of the ectypal factor is calculated from a linear fit to the measured ectypal factor corresponding to the 17 simulations performed at light intensities between (and including) 10 Tables I and II. The abbreviation "IM" indicates the results obtained using the Ion-Monger simulation tool [43]. The representative values of the measured ectypal factor (shown in the labels) are obtained from linear fits to the points corresponding to values of the illumination intensity between 10 −3 and 10 −1 Suns via Eq.…”

Section: B Suns-v Oc Methodsmentioning

confidence: 99%

“…IV, we analyze, using the two standard methods, two example sets of cell parameter values for five separate cases, in which the cell is limited by one of five different recombination mechanisms. The example cells are simulated using the open-source IonMonger simulation tool [43] and the results are explained using the ectypal diode theory. Lastly, in Sec.…”

Section: Introductionmentioning

confidence: 99%

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Interpreting Ideality Factors for Planar Perovskite Solar Cells: Ectypal Diode Theory for Steady-State Operation

Courtier

2020

Phys. Rev. Applied

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Ideality factors are used to identify the dominant form of recombination in many types of solar cells and guide future development. Unusual noninteger and voltage-dependent ideality factors, which are difficult to explain using the classical diode theory, have been reported for perovskite solar cells and remain unexplained. Experimental measurements and theoretical simulations of the electric potential profile across a planar perovskite solar cell show that significant potential drops occur across each of the perovskiteand transport-layer interfaces. Such potential profiles are fundamentally distinct from the single potential drop that characterizes a p-n or a p-in junction. We propose an analytical model, developed specifically for perovskite devices, in which the ideality factor is replaced by a systematically derived analog, which we term the ectypal factor. In common with the classical theory, the ectypal diode equation is derived as an approximation to a drift-diffusion model for the motion of charges across a solar cell, however, crucially, it incorporates the effects of ion migration within the perovskite absorber layer. The theory provides a framework for analyzing the steady-state performance of a perovskite solar cell (PSC) according to the value of the ectypal factor. Predictions are verified against numerical simulations of a full set of drift-diffusion equations. An important conclusion is that our ability to evaluate PSC performance, using standard techniques such as the analysis of dark J-V or Suns-V OC measurements, relies on understanding how the potential distribution varies with applied voltage. Implications of this work on the interpretation of data from the literature are discussed.

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Section: Discussionmentioning

confidence: 99%

Section: B Numerical Simulation Methodsmentioning

confidence: 99%

Section: B Numerical Simulation Methodsmentioning

confidence: 99%

Section: B Suns-v Oc Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Interpreting Ideality Factors for Planar Perovskite Solar Cells: Ectypal Diode Theory for Steady-State Operation

Courtier

2020

Phys. Rev. Applied

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Ionic Accumulation as a Diagnostic Tool in Perovskite Solar Cells: Characterizing Band Alignment with Rapid Voltage Pulses

et al. 2023

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Despite record‐breaking devices, interfaces in perovskite solar cells are still poorly understood, inhibiting further progress. Their mixed ionic‐electronic nature results in compositional variations at the interfaces, depending on the history of externally applied biases. This makes it difficult to measure the band energy alignment of charge extraction layers accurately. As a result, the field often resorts to a trial‐and‐error process to optimize these interfaces. Current approaches are typically carried out in a vacuum and on incomplete cells, hence values may not reflect those found in working devices. To address this, a pulsed measurement technique characterizing the electrostatic potential energy drop across the perovskite layer in a functioning device is developed. This method reconstructs the current‐voltage (JV) curve for a range of stabilization biases, holding the ion distribution “static” during subsequent rapid voltage pulses. Two different regimes are observed: at low biases, the reconstructed JV curve is “s‐shaped”, whereas, at high biases, typical diode‐shaped curves are returned. Using drift‐diffusion simulations, it is demonstrated that the intersection of the two regimes reflects the band offsets at the interfaces. This approach effectively allows measurements of interfacial energy level alignment in a complete device under illumination and without the need for expensive vacuum equipment.

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Metal Halide Perovskite/Electrode Contacts in Charge‐Transporting‐Layer‐Free Devices

Dong

Cheng

et al. 2022

Advanced Science

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Metal halide perovskites have drawn substantial interest in optoelectronic devices in the past decade. Perovskite/electrode contacts are crucial for constructing high-performance charge-transporting-layer-free perovskite devices, such as solar cells, field-effect transistors, artificial synapses, memories, etc. Many studies have evidenced that the perovskite layer can directly contact the electrodes, showing abundant physicochemical, electronic, and photoelectric properties in charge-transporting-layer-free perovskite devices. Meanwhile, for perovskite/metal contacts, some critical interfacial physical and chemical processes are reported, including band bending, interface dipoles, metal halogenation, and perovskite decomposition induced by metal electrodes. Thus, a systematic summary of the role of metal halide perovskite/electrode contacts on device performance is essential. This review summarizes and discusses charge carrier dynamics, electronic band engineering, electrode corrosion, electrochemical metallization and dissolution, perovskite decomposition, and interface engineering in perovskite/electrode contacts-based electronic devices for a comprehensive understanding of the contacts. The physicochemical, electronic, and morphological properties of various perovskite/electrode contacts, as well as relevant engineering techniques, are presented. Finally, the current challenges are analyzed, and appropriate recommendations are put forward. It can be expected that further research will lead to significant breakthroughs in their application and promote reforms and innovations in future solid-state physics and materials science.

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IonMonger: a free and fast planar perovskite solar cell simulator with coupled ion vacancy and charge carrier dynamics

Cited by 65 publications

References 26 publications

Interpreting Ideality Factors for Planar Perovskite Solar Cells: Ectypal Diode Theory for Steady-State Operation

Interpreting Ideality Factors for Planar Perovskite Solar Cells: Ectypal Diode Theory for Steady-State Operation

Ionic Accumulation as a Diagnostic Tool in Perovskite Solar Cells: Characterizing Band Alignment with Rapid Voltage Pulses

Metal Halide Perovskite/Electrode Contacts in Charge‐Transporting‐Layer‐Free Devices

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