05 Fakultät Informatik, Elektrotechnik und Informationstechnik

Permanent URI for this collectionhttps://elib.uni-stuttgart.de/handle/11682/6

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    Analytic free-energy expression for the 2D-Ising model and perspectives for battery modeling
    (2023) Markthaler, Daniel; Birke, Kai Peter
    Although originally developed to describe the magnetic behavior of matter, the Ising model represents one of the most widely used physical models, with applications in almost all scientific areas. Even after 100 years, the model still poses challenges and is the subject of active research. In this work, we address the question of whether it is possible to describe the free energy A of a finite-size 2D-Ising model of arbitrary size, based on a couple of analytically solvable 1D-Ising chains. The presented novel approach is based on rigorous statistical-thermodynamic principles and involves modeling the free energy contribution of an added inter-chain bond DAbond(b, N) as function of inverse temperature b and lattice size N. The identified simple analytic expression for DAbond is fitted to exact results of a series of finite-size quadratic N N-systems and enables straightforward and instantaneous calculation of thermodynamic quantities of interest, such as free energy and heat capacity for systems of an arbitrary size. This approach is not only interesting from a fundamental perspective with respect to the possible transfer to a 3D-Ising model, but also from an application-driven viewpoint in the context of (Li-ion) batteries where it could be applied to describe intercalation mechanisms.
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    Top‐down approach to study chemical and electronic properties of perovskite solar cells : sputtered depth profiling versus tapered cross‐sectional photoelectron spectroscopies
    (2021) Das, Chittaranjan; Zia, Waqas; Mortan, Claudiu; Hussain, Navid; Saliba, Michael; Ingo Flege, Jan; Kot, Małgorzata
    A study of the chemical and electronic properties of various layers across perovskite solar cell (PSC) stacks is challenging. Depth‐profiling photoemission spectroscopy can be used to study the surface, interface, and bulk properties of different layers in PSCs, which influence the overall performance of these devices. Herein, sputter depth profiling (SDP) and tapered cross‐sectional (TCS) photoelectron spectroscopies (PESs) are used to study highly efficient mixed halide PSCs. It is found that the most used SDP‐PES technique degrades the organic and deforms the inorganic materials during sputtering of the PSCs while the TCS‐PES method is less destructive and can determine the chemical and electronic properties of all layers precisely. The SDP‐PES dissociates the chemical bonding in the spiro‐MeOTAD and perovskite layer and reduces the TiO2, which causes the chemical analysis to be unreliable. The TCS‐PES revealed a band bending only at the spiro‐MeOTAD/perovskite interface of about 0.7 eV. Both the TCS and SDP‐PES show that the perovskite layer is inhomogeneous and has a higher amount of bromine at the perovskite/TiO2 interface.
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    Cycling of double-layered graphite anodes in pouch-cells
    (2022) Müller, Daniel; Fill, Alexander; Birke, Kai Peter
    Incremental improvement to the current state-of-the-art lithium-ion technology, for example regarding the physical or electrochemical design, can bridge the gap until the next generation of cells are ready to take Li-ions place. Previously designed two-layered porosity-graded graphite anodes, together with LixNi0.6Mn0.2Co0.2O2 cathodes, were analysed in small pouch-cells with a capacity of around 1 Ah. For comparison, custom-made reference cells with the average properties of two-layered anodes were tested. Ten cells of each type were examined in total. Each cell pair, consisting of one double-layer and one single-layer (reference) cell, underwent the same test procedure. Besides regular charge and discharge cycles, electrochemical impedance spectroscopy, incremental capacity analysis, differential voltage analysis and current-pulse measurement are used to identify the differences in ageing behaviour between the two cell types. The results show similar behaviour and properties at beginning-of-life, but an astonishing improvement in capacity retention for the double-layer cells regardless of the cycling conditions. Additionally, the lifetime of the single-layer cells was strongly influenced by the cycling conditions, and the double-layer cells showed less difference in ageing behaviour.
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    Optimization of disassembly strategies for electric vehicle batteries
    (2021) Baazouzi, Sabri; Rist, Felix Paul; Weeber, Max; Birke, Kai Peter
    Various studies show that electrification, integrated into a circular economy, is crucial to reach sustainable mobility solutions. In this context, the circular use of electric vehicle batteries (EVBs) is particularly relevant because of the resource intensity during manufacturing. After reaching the end-of-life phase, EVBs can be subjected to various circular economy strategies, all of which require the previous disassembly. Today, disassembly is carried out manually and represents a bottleneck process. At the same time, extremely high return volumes have been forecast for the next few years, and manual disassembly is associated with safety risks. That is why automated disassembly is identified as being a key enabler of highly efficient circularity. However, several challenges need to be addressed to ensure secure, economic, and ecological disassembly processes. One of these is ensuring that optimal disassembly strategies are determined, considering the uncertainties during disassembly. This paper introduces our design for an adaptive disassembly planner with an integrated disassembly strategy optimizer. Furthermore, we present our optimization method for obtaining optimal disassembly strategies as a combination of three decisions: (1) the optimal disassembly sequence, (2) the optimal disassembly depth, and (3) the optimal circular economy strategy at the component level. Finally, we apply the proposed method to derive optimal disassembly strategies for one selected battery system for two condition scenarios. The results show that the optimization of disassembly strategies must also be used as a tool in the design phase of battery systems to boost the disassembly automation and thus contribute to achieving profitable circular economy solutions for EVBs.
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    Laser doping for silicon solar cells : modeling and application
    (2024) Hassan, Mohamed; Werner, Jürgen H. (Prof. Dr. rer. nat. habil.)
    In meiner Dissertation geht es um die Simulation des Laserdotierungsprozess der Oberfläche des Siliziumwafers um hoch effizienten Solarzellen herzustellen. Die Simulation ermöglicht die genaue Vorhersage der Dimensionen eines dotierten Bereiches. Das hat ermöglicht, nicht nur die Abhängigkeit des ergebenden Schichtleitwerts von der benutzten Rastergeschwindigkeit des Laserstrahls auf die Siliziumoberfläche zu verstehen, sondern auch der Schichtleitwert einer laserdotierten Schicht basierend auf ein einfaches geometrisches Modell vorherzusagen.
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    The influence of micro-structured anode current collectors in combination with highly concentrated electrolyte on the Coulombic efficiency of in-situ deposited Li-metal electrodes with different counter electrodes
    (2020) Heim, Fabian; Kreher, Tina; Birke, Kai Peter
    This paper compares and combines two common methods to improve the cycle performance of lithium metal (Li) electrodes. One technique is to establish a micro-structured current collector by chemical separation of a copper/zinc alloy. Furthermore, the use of a highly concentrated ether-based electrolyte is applied as a second approach for improving the cycling behavior. The influence of the two measures compared with a planar current collector and a 1 M concentrated carbonate-based electrolyte, as well as the combination of the methods, are investigated in test cells both with Li and lithium nickel cobalt manganese oxide (NCM) as counter electrodes. In all cases Li is in-situ plated onto the micro-structured current collectors respectively a planar copper foil without presence of any excess Li before first deposition. In experiments with Li counter electrodes, the effect of a structured current collector is not visible whereas the influence of the electrolyte can be observed. With NCM counter electrodes and carbonate-based electrolyte structured current collectors can improve Coulombic efficiency. The confirmation of this outcome in experiments with highly concentrated ether-based electrolyte is challenging due to high deviations. However, these results indicate, that improvements in Coulombic efficiency achieved by structuring the current collector’s surface and using ether-based electrolyte do not necessarily add up, if both methods are combined in one cell.
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    Multi-method model for the investigation of disassembly scenarios for electric vehicle batteries
    (2023) Baazouzi, Sabri; Grimm, Julian; Birke, Kai Peter
    Disassembly is a pivotal technology to enable the circularity of electric vehicle batteries through the application of circular economy strategies to extend the life cycle of battery components through solutions such as remanufacturng, repurposing, and efficient recycling, ultimately reintegrating gained materials into the production of new battery systems. This paper aims to develop a multi-method self-configuring simulation model to investigate disassembly scenarios, taking into account battery design as well as the configuration and layout of the disassembly station. We demonstrate the developed model in a case study using a Mercedes-Benz battery and the automated disassembly station of the DeMoBat project at Fraunhofer IPA. Furthermore, we introduce two disassembly scenarios: component-oriented and accessibility-oriented disassembly. These scenarios are compared using the simulation model to determine several indicators, including the frequency of tool change, the number and distribution of robot routes, tool utilization, and disassembly time.
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    Fourier spotting : a novel setup for single-color reflectometry
    (2022) Siegel, Johannes; Berner, Marcel; Werner, Jürgen H.; Proll, Günther; Fechner, Peter; Schubert, Markus
    Single-color reflectrometry is a sensitive and robust detection method in optical biosensor applications, for example for bioanalysis. It is based on the interference of reflected monochromatic radiation and is label free. We present a novel setup for single-color reflectometry based on the patented technology of Berner et al. from 2016. Tilting areas of micro-mirrors allow us to encode the optical reflection signal of an analyte and reference channel into a particular carrier frequency with the amplitude being proportional to the local reflection. Therefore, a single photodiode is sufficient to collect the signals from both channels simultaneously. A 180∘ phase shift in the tilt frequency of two calibrated micro-mirror areas leads to a superposition of the analyte and reference signal which enables an efficient reduction of the baseline offset and potential baseline offset drift. A performance test reveals that we are able to detect changes of the refractive index n down to Δn < 0.01 of saline solutions as regents. A further test validates the detection of heterogeneous binding interaction. This test compromises immobilized testosterone-bovine serum albumin on a three-dimensional layer of biopolymer as ligand and monoclonal anti-testosterone antibodies as analyte. Antibody/antigen binding induces a local growth of the biolayer and change in the refractive index, which is measured via the local change of the reflection. Reproducible measurements enable for the analysis of the binding kinetics by determining the affinity constant KA = 1.59 × 10- 7 M- 1. In summary, this work shows that the concept of differential Fourier spotting as novel setup for single-color reflectometry is suitable for reliable bioanalysis.Graphical Abstract
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    Ionic liquid Stabilizing high‐efficiency tin halide perovskite solar cells
    (2021) Li, Guixiang; Su, Zhenhuang; Li, Meng; Yang, Feng; Aldamasy, Mahmoud H.; Pascual, Jorge; Yang, Fengjiu; Liu, Hairui; Zuo, Weiwei; Di Girolamo, Diego; Iqbal, Zafar; Nasti, Giuseppe; Dallmann, André; Gao, Xingyu; Wang, Zhaokui; Saliba, Michael; Abate, Antonio
    Tin halide perovskites attract incremental attention to deliver lead‐free perovskite solar cells. Nevertheless, disordered crystal growth and low defect formation energy, related to Sn(II) oxidation to Sn(IV), limit the efficiency and stability of solar cells. Engineering the processing from perovskite precursor solution preparation to film crystallization is crucial to tackle these issues and enable the full photovoltaic potential of tin halide perovskites. Herein, the ionic liquid n‐butylammonium acetate (BAAc) is used to tune the tin coordination with specific O…Sn chelating bonds and NH…X hydrogen bonds. The coordination between BAAc and tin enables modulation of the crystallization of the perovskite in a thin film. The resulting BAAc‐containing perovskite films are more compact and have a preferential crystal orientation. Moreover, a lower amount of Sn(IV) and related chemical defects are found for the BAAc‐containing perovskites. Tin halide perovskite solar cells processed with BAAc show a power conversion efficiency of over 10%. This value is retained after storing the devices for over 1000 h in nitrogen. This work paves the way toward a more controlled tin‐based perovskite crystallization for stable and efficient lead‐free perovskite photovoltaics.
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    Photoelectrochemical water‐splitting using CuO‐based electrodes for hydrogen production : a review
    (2021) Siavash Moakhar, Roozbeh; Hosseini‐Hosseinabad, Seyed Morteza; Masudy‐Panah, Saeid; Seza, Ashkan; Jalali, Mahsa; Fallah‐Arani, Hesam; Dabir, Fatemeh; Gholipour, Somayeh; Abdi, Yaser; Bagheri‐Hariri, Mohiedin; Riahi‐Noori, Nastaran; Lim, Yee‐Fun; Hagfeldt, Anders; Saliba, Michael
    The cost‐effective, robust, and efficient electrocatalysts for photoelectrochemical (PEC) water‐splitting has been extensively studied over the past decade to address a solution for the energy crisis. The interesting physicochemical properties of CuO have introduced this promising photocathodic material among the few photocatalysts with a narrow bandgap. This photocatalyst has a high activity for the PEC hydrogen evolution reaction (HER) under simulated sunlight irradiation. Here, the recent advancements of CuO‐based photoelectrodes, including undoped CuO, doped CuO, and CuO composites, in the PEC water‐splitting field, are comprehensively studied. Moreover, the synthesis methods, characterization, and fundamental factors of each classification are discussed in detail. Apart from the exclusive characteristics of CuO‐based photoelectrodes, the PEC properties of CuO/2D materials, as groups of the growing nanocomposites in photocurrent‐generating devices, are discussed in separate sections. Regarding the particular attention paid to the CuO heterostructure photocathodes, the PEC water splitting application is reviewed and the properties of each group such as electronic structures, defects, bandgap, and hierarchical structures are critically assessed.