arXiv subjects

Dilara Abdel

Publications and source records attributed to Dilara Abdel.

6 recordsLinked to original sources

arXiv2025

How nanotextured interfaces influence the electronics in perovskite solar cells

Perovskite solar cells have reached power conversion efficiencies that rival those of established silicon photovoltaics. Nanotextures in perovskite solar cells scatter the incident light, thereby improving optical absorption. In addition, experiments show that nanotextures impact electronic performance, although the underlying mechanisms remain unclear. This study investigates the underlying theoretical reasons by combining multi-dimensional optical and charge-transport simulations for a single-junction perovskite solar cell. Our numerical results reveal that texturing redistributes the electric field, influencing carrier accumulation and recombination dynamics. We find that moderate texturing heights ($\leq 300$ nm) always increase the power conversion efficiency, regardless of surface recombination velocities. Our study also clarifies why experiments have reported that texturing both increased and reduced open-circuit voltages in perovskite solar cells: this behaviour originates from variations in surface recombination at the untextured electron transport layer. In contrast, surface recombination at the textured hole transport layer strongly affects the short-circuit current density, with lower recombination rates keeping it closer to the optical ideal. These findings provide new insights into the opto-electronic advantages of texturing and offer guidance for the design of next-generation textured perovskite-based solar cells, light emitting diodes, and photodetectors.

physics.comp-ph↗

arXiv2025

Existence of solutions and uniform bounds for the stationary semiconductor equations with generation and ionic carriers

We consider a stationary drift-diffusion system with ionic charge carriers and external generation of electron and hole charge carriers. This system arises, among other applications, in the context of semiconductor modeling for perovskite solar cells. Thanks to truncation techniques and iterative energy estimates, we show the existence and uniform upper and lower bounds on the solutions. The dependency of the bounds on the various parameters of the model is investigated numerically on physically relevant test cases.

math.AP↗

arXiv2025

Numerical analysis and simulation of lateral memristive devices: Schottky, ohmic, and multi-dimensional electrode models

In this paper, we present the numerical analysis and simulations of a multi-dimensional memristive device model. Memristive devices and memtransistors based on two-dimensional (2D) materials have demonstrated promising potential for neuromorphic computing and next-generation memory technologies. Our charge transport model describes the drift-diffusion of electrons, holes, and ionic defects self-consistently in an electric field. We incorporate two types of boundary models: ohmic and Schottky contacts. The coupled drift-diffusion partial differential equations are discretized using a physics-preserving Voronoi finite volume method. It relies on an implicit time-stepping scheme and the excess chemical potential flux approximation. We demonstrate that the fully discrete nonlinear scheme is unconditionally stable, preserving the free-energy structure of the continuous system and ensuring the non-negativity of carrier densities. Novel discrete entropy-dissipation inequalities for both boundary condition types in multiple dimensions allow us to prove the existence of discrete solutions. We perform multi-dimensional simulations to understand the impact of electrode configurations and device geometries, focusing on the hysteresis behavior in lateral 2D memristive devices. Three electrode configurations -- side, top, and mixed contacts -- are compared numerically for different geometries and boundary conditions. These simulations reveal the conditions under which a simplified one-dimensional electrode geometry can well represent the three electrode configurations. This work lays the foundations for developing accurate, efficient simulation tools for 2D memristive devices and memtransistors, offering tools and guidelines for their design and optimization in future applications.

math.NA↗

arXiv2025

Physics-Guided Sequence Modeling for Fast Simulation and Design Exploration of 2D Memristive Devices

Modeling hysteretic switching dynamics in memristive devices is computationally demanding due to coupled ionic and electronic transport processes. This challenge is particularly relevant for emerging two-dimensional (2D) devices, which feature high-dimensional design spaces that remain largely unexplored. We introduce a physics-guided modeling framework that integrates high-fidelity finite-volume (FV) charge transport simulations with a long short-term memory (LSTM) artificial neural network (ANN) to predict dynamic current-voltage behavior. Trained on physically grounded simulation data, the ANN surrogate achieves more than four orders of magnitude speedup compared to the FV model, while maintaining direct access to physically meaningful input parameters and high accuracy with typical normalized errors <1%. This enables iterative tasks that were previously computationally prohibitive, including inverse modeling from experimental data, design space exploration via metric mapping and sensitivity analysis, as well as constrained multi-objective design optimization. Importantly, the framework preserves physical interpretability via access to detailed spatial dynamics, including carrier densities, vacancy distributions, and electrostatic potentials, through a direct link to the underlying FV model. Our approach establishes a scalable framework for efficient exploration, interpretation, and model-driven design of emerging 2D memristive and neuromorphic devices.

cond-mat.mtrl-sci↗

arXiv2023

The Role of Mobile Point Defects in Two-Dimensional Memristive Devices

Two-dimensional (2D) layered transition metal dichalcogenides (TMDCs) are promising memristive materials for neuromorphic computing systems as they could solve the problem of the excessively high energy consumption of conventional von Neumann computer architectures. Despite extensive experimental work, the underlying switching mechanisms are still not understood, impeding progress in material and device functionality. This study reveals the dominant role of mobile defects in the switching dynamics of 2D TMDC materials. The switching process is governed by the formation and annihilation dynamics of a local vacancy depletion zone. Moreover, minor changes in the interface potential barriers cause fundamentally different device behavior previously thought to originate from multiple mechanisms. The key mechanisms are identified with a charge transport model for electrons, holes, and ionic point defects, including image-charge-induced Schottky barrier lowering (SBL). The model is validated by comparing simulations to measurements for various 2D MoS$_2$-based devices, strongly corroborating the relevance of vacancies in TMDC devices and offering a new perspective on the switching mechanisms. The insights gained from this study can be used to extend the functional behavior of 2D TMDC memristive devices in future neuromorphic computing applications.

physics.app-ph↗

arXiv2022

Numerical analysis of a finite volume scheme for charge transport in perovskite solar cells

In this paper, we consider a drift-diffusion charge transport model for perovskite solar cells, where electrons and holes may diffuse linearly (Boltzmann approximation) or nonlinearly (e.g. due to Fermi-Dirac statistics). To incorporate volume exclusion effects, we rely on the Fermi-Dirac integral of order -1 when modeling moving anionic vacancies within the perovskite layer which is sandwiched between electron and hole transport layers. After non-dimensionalization, we first prove a continuous entropy-dissipation inequality for the model. Then, we formulate a corresponding two-point flux finite volume scheme on Voronoi meshes and show an analogous discrete entropy-dissipation inequality. This inequality helps us to show the existence of a discrete solution of the nonlinear discrete system with the help of a corollary of Brouwer's fixed point theorem and the minimization of a convex functional. Finally, we verify our theoretically proven properties numerically, simulate a realistic device setup and show exponential decay in time with respect to the L^2 error as well as a physically and analytically meaningful relative entropy.

math.NA↗