05 Fakultät Informatik, Elektrotechnik und Informationstechnik
Permanent URI for this collectionhttps://elib.uni-stuttgart.de/handle/11682/6
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Item Open Access Analytic free-energy expression for the 2D-Ising model and perspectives for battery modeling(2023) Markthaler, Daniel; Birke, Kai PeterAlthough 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.Item Open Access 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, MałgorzataA 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.Item Open Access Ionenassistierte Deposition von Siliciumschichten(2001) Oberbeck, Lars; Werner, Jürgen H. (Prof. Dr. rer. nat. habil.)Die vorliegende Arbeit untersucht die Wachstumsvorgänge sowie die strukturellen und elektrischen Eigenschaften von Si-Epitaxieschichten aus der ionenassistierten Deposition (IAD). Bei der IAD werden Si-Atome durch einen Elektronenstrahlverdampfer bereitgestellt und in der Gasphase durch Elektronenemission aus einem Glühdraht teilweise ionisiert; der Ionisationsgrad beträgt ca. 1 %. Eine angelegte Spannung beschleunigt diese Si+ Ionen zum Substrat hin. Die Ko-Evaporation von Bor bzw. Phosphor ermöglicht die in-situ Dotierung der Epitaxieschichten zur Herstellung von pn-Übergängen. Die epitaktische Abscheidung von Si mittels IAD ist auf beliebigen Substratorientierungen möglich. Die Defektdichte und die Minoritätsträgerdiffusionslänge hängen aber stark von der Substratorientierung und der Beschleunigungsspannung ab. Dieses Ergebnis ist auf Unterschiede in der Oberflächenrekonstruktion und in den Aktivierungsenergien für atomare Diffusionsprozesse zurückzuführen. Bei der Betrachtung der Wachstumsmechanismen bei der IAD müssen zwei Temperaturbereiche unterschieden werden: Im Temperaturbereich < 400 °C unterstützen interstitielle Atome das epitaktische Wachstum, bei höheren Temperaturen dominiert die direkte Erhöhung der Adatommobilität durch Ionenbeschuß der Wachstumsoberfläche. Die optimale Ionenenergie liegt im Bereich 8 ... 20 eV für (100)-orientierte Epitaxieschichten. Diese Arbeit vertieft wesentlich das Verständnis der Wachstumsvorgänge bei der ionenassistierten Deposition von Si-Epitaxieschichten bei Depositionstemperaturen unterhalb von 650 °C und bietet erstmals eine grundlegende Evaluierung des Potentials von Si-Niedertemperaturepitaxieschichten. Eine umfassende Untersuchung struktureller und elektrischer Eigenschaften der Epitaxieschichten hat zur Herstellung von Schichten mit sehr guten Majoritäts- und Minoritätsträgereigenschaften bei einer Rekord-Depositionsrate von 0,8 µm/min geführt.Item Open Access Cycling of double-layered graphite anodes in pouch-cells(2022) Müller, Daniel; Fill, Alexander; Birke, Kai PeterIncremental 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.Item Open Access Optimization of disassembly strategies for electric vehicle batteries(2021) Baazouzi, Sabri; Rist, Felix Paul; Weeber, Max; Birke, Kai PeterVarious 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.Item Open Access 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.Item Open Access 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 PeterThis 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.Item Open Access Multi-method model for the investigation of disassembly scenarios for electric vehicle batteries(2023) Baazouzi, Sabri; Grimm, Julian; Birke, Kai PeterDisassembly 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.Item Open Access a-Si:H/c-Si heterojunction front- and back contacts for silicon solar cells with p-type base(2010) Rostan, Philipp Johannes; Werner, Jürgen H. (Prof. Dr. rer. nat. habil.)This thesis reports on low temperature amorphous silicon back and front contacts for high-efficiency crystalline silicon solar cells with a p-type base. The back contact uses a sequence of intrinsic amorphous (i-a-Si:H) and boron doped microcrystalline (p-μc-Si:H) silicon layers fabricated by Plasma Enhanced Chemical Vapor Deposition (PECVD) and a magnetron sputtered ZnO:Al layer. The back contact is finished by evaporating Al onto the ZnO:Al and altogether prepared at a maximum temperature of 220 °C. Analysis of the electronic transport of mobile charge carriers at the back contact shows that the two high-efficiency requirements low back contact series resistance and high quality c-Si surface passivation are in strong contradiction to each other, thus difficult to achieve at the same time. The preparation of resistance- and effective lifetime samples allows one to investigate both requirements independently. Analysis of the majority charge carrier transport on complete Al/ZnO:Al/a-Si:H/c-Si back contact structures derives the resistive properties. Measurements of the effective minority carrier lifetime on a-Si:H coated wafers determines the back contact surface passivation quality. Both high-efficiency solar cell requirements together are analyzed in complete photovoltaic devices where the back contact series resistance mainly affects the fill factor and the back contact passivation quality mainly affects the open circuit voltage. The best cell equipped with a diffused emitter with random texture and a full-area a-Si:H/c-Si back contact has an independently confirmed efficiency η = 21.0 % with an open circuit voltage Voc = 681 mV and a fill factor FF = 78.7 % on an area of 1 cm². An alternative concept that uses a simplified a-Si:H layer sequence combined with Al-point contacts yields a confirmed efficiency η = 19.3 % with an open circuit voltage Voc = 655 mV and a fill factor FF = 79.5 % on an area of 2 cm². Analysis of the internal quantum efficiency shows that both types of back contacts lead to effective diffusion lengths in excess of 600 μm. An extended fill factor analysis shows that fill factor limitations for the full-area a-Si:H/c-Si contacts result from non-ideal diode behavior, ascribed to the injection dependence of the heterojunction interface recombination velocity. Analysis of the external quantum efficiency under back side illumination with different bias light intensities delivers the effective surface recombination Seff(Φ) in dependance of the illumination intensity Φ. The front contact (emitter) uses a sequence of intrinsic and phosphorous doped amorphous silicon layers together with a ZnO:Al or a SnO2:In layer and an Al front contact grid. The emitter is prepared at a maximum temperature of 220 °C. Measurements of the minority carrier lifetime on symmetric i/n-a-Si:H coated wafers judge the emitter passivation quality. The best solar cells that use a thermal oxide back side passivation with Al-point contacts and flat a-Si:H emitters have open circuit voltages up to 683 mV and efficiencies up to 17.4 %. The efficiency of such devices is limited by a low short circuit current due to the flat front side. Using the same back contact structure with random pyramid textured wafer front sides and a-Si:H emitters yields open circuit voltages up to 660 mV and efficiencies up to 18.5 %, sofar limited by a relatively low fill factor FF ≤ 74.3 %. Analysis of the external quantum efficiency underlines the excellent surface passivation properties of the amorphous emitter. Combining both, amorphous front- and back contacts yields p-type heterojunction solar cells completely fabricated at temperatures below 220 °C. The best devices reach an open circuit voltage Voc = 678 mV and an efficiency η = 18.1 % with random textured wafers, limited by low fill factors FF ∼ 75 %. Besides the cell fabrication and characterization, this thesis reveals that the inherent a-Si:H/c-Si band offset distribution with a low conduction band offset and a large valence band offset is disadvantageous for p-c-Si heterojuntion solar cells if compared to their n-c-Si counterparts. A calculation of the saturation current densities of the cell's emitter, bulk and back contact demonstrates that the n-a-Si:H/p-c-Si emitter suffers from a low built-in potential. Modelling of the back contact based on the charge carrier transport equations shows that the insertion of an i-a-Si:H layer with a thickness d ≥ 3 nm (that is mandatory for a high surface passivation quality) leads to a series resistance that is critical for usage in a solar cell. The model mainly ascribes the high back contact resistance to the large valence band offset at the heterojunction.Item Open Access Fourier spotting : a novel setup for single-color reflectometry(2022) Siegel, Johannes; Berner, Marcel; Werner, Jürgen H.; Proll, Günther; Fechner, Peter; Schubert, MarkusSingle-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