05 Fakultät Informatik, Elektrotechnik und Informationstechnik
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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 Electrically detected magnetic resonance on a chip (EDMRoC) for analysis of thin-film silicon photovoltaics(2023) Segantini, Michele; Marcozzi, Gianluca; Djekic, Denis; Chu, Anh; Amkreutz, Daniel; Trinh, Cham Thi; Neubert, Sebastian; Stannowski, Bernd; Jacob, Kerstin; Rudolph, Ivo; McPeak, Joseph E.; Anders, Jens; Naydenov, Boris; Lips, KlausElectrically detected magnetic resonance (EDMR) is a spectroscopic technique that provides information about the physical properties of materials through the detection of variations in conductivity induced by spin-dependent processes. EDMR has been widely applied to investigate thin-film semiconductor materials in which the presence of defects can induce the current limiting processes. Conventional EDMR measurements are performed on samples with a special geometry that allows the use of a typical electron paramagnetic resonance (EPR) resonator. For such measurements, it is of utmost importance that the geometry of the sample under assessment does not influence the results of the experiment. Here, we present a single-board EPR spectrometer using a chip-integrated, voltage-controlled oscillator (VCO) array as a planar microwave source, whose geometry optimally matches that of a standard EDMR sample, and which greatly facilitates electrical interfacing to the device under assessment. The probehead combined an ultrasensitive transimpedance amplifier (TIA) with a twelve-coil array, VCO-based, single-board EPR spectrometer to permit EDMR-on-a-Chip (EDMRoC) investigations. EDMRoC measurements were performed at room temperature on a thin-film hydrogenated amorphous silicon (a-Si:H) pin solar cell under dark and forward bias conditions, and the recombination current driven by the a-Si:H dangling bonds (db) was detected. These experiments serve as a proof of concept for a new generation of small and versatile spectrometers that allow in situ and operando EDMR experiments.Item Open Access Two-dimensional hole gases in SiGeSn alloys(2022) Oehme, Michael; Kasper, Erich; Weißhaupt, David; Sigle, Eric; Hersperger, Tim; Wanitzek, Maurice; Schwarz, DanielTwo-dimensional hole gases are demonstrated in modulation doped SixGe1-x-ySny quantum wells (QWs), which are embedded in Si0.2Ge0.8 barrier layers. The modulation doped QW structures are fabricated with molecular beam epitaxy on a thin (100 nm) virtual SiGe substrate on a (001) oriented Si substrate. The virtual substrate (VS) concept utilizes the Si diffusion into an as- grown thin, strain relaxed Ge layer during a following annealing step. The lateral lattice spacing of the SiGe-VS could be varied by the annealing temperature in the range between 830 °C and 860 °C. Half-hour anneal at 848 °C results in nearly strain free growth for the following Si0.2Ge0.8 barrier layer. Boron doping above an undoped 10 nm spacer on top of the 15 nm QW provides a reservoir for hole transfer from the barrier to the well. Electrical conductivity, sheet hole density ps and mobility are measured as function of temperature. In all investigated SixGe1-x-ySny channels the Hall measurements show the typical freeze out of holes outside the QW. Alloy scattering dominates the low-temperature mobility by adding Sn or Si to the Ge reference well. A linear relationship for the charge transfer from the modulation doping into the undoped SixGe1-x-ySny channel as function of the lattice mismatch between the channel material and the matrix material could be found at low-temperatures (8 K). An analytical model for this charge transfer confirms the nearly linear relationship by considering the triangular shape of the potential in modulation doped QW structures.Item Open Access Monitoring the state of charge of vanadium redox flow batteries with an EPR-on-a-Chip dipstick sensor(2024) Künstner, Silvio; McPeak, Joseph E.; Chu, Anh; Kern, Michal; Dinse, Klaus-Peter; Naydenov, Boris; Fischer, Peter; Anders, Jens; Lips, KlausThe vanadium redox flow battery (VRFB) is considered a promising candidate for large-scale energy storage in the transition from fossil fuels to renewable energy sources. VRFBs store energy by electrochemical reactions of different electroactive species dissolved in electrolyte solutions. The redox couples of VRFBs are VO2+/VO2+ and V2+/V3+, the ratio of which to the total vanadium content determines the state of charge (SOC). V(iv) and V(ii) are paramagnetic half-integer spin species detectable and quantifiable with electron paramagnetic resonance spectroscopy (EPR). Common commercial EPR spectrometers, however, employ microwave cavity resonators which necessitate the use of large electromagnets, limiting their application to dedicated laboratories. For an SOC monitoring device for VRFBs, a small, cost-effective submersible EPR spectrometer, preferably with a permanent magnet, is desirable. The EPR-on-a-Chip (EPRoC) spectrometer miniaturises the complete EPR spectrometer onto a single microchip by utilising the coil of a voltage-controlled oscillator as both microwave source and detector. It is capable of sweeping the frequency while the magnetic field is held constant enabling the use of small permanent magnets. This drastically reduces the experimental complexity of EPR. Hence, the EPRoC fulfils the requirements for an SOC sensor. We, therefore, evaluate the potential for utilisation of an EPRoC dipstick spectrometer as an operando and continuously online monitor for the SOC of VRFBs. Herein, we present quantitative proof-of-principle submersible EPRoC experiments on variably charged vanadium electrolyte solutions. EPR data obtained with a commercial EPR spectrometer are in good agreement with the EPRoC data.Item Open Access Understanding the impact of surface roughness : changing from FTO to ITO to PEN/ITO for flexible perovskite solar cells(2023) Holzhey, Philippe; Prettl, Michael; Collavini, Silvia; Mortan, Claudiu; Saliba, MichaelSo far, single-junction flexible PSCs have been lacking in efficiency compared to rigid PSCs. Recently, > 23% have been reported. We therefore focus on understanding the differences between rigid and flexible substrates. One often neglected parameter is the different surface roughness which directly affects the perovskite film formation. Therefore, we adjust the layer thickness of SnO2 and the perovskite layers. Furthermore, we introduce a PMMA layer between the perovskite and the hole transporting material (HTM), spiro-MeOTAD, to mitigate shunting pathways. In addition, the multication perovskite Rb0.02Cs0.05FA0.77MA0.16Pb(I0.83Br0.17)3 is employed, resulting in stabilized performances of 16% for a flexible ITO substrate and 19% on a rigid ITO substrate.Item Open Access Research data management in simulation science : infrastructure, tools, and applications(2024) Flemisch, Bernd; Hermann, Sibylle; Herschel, Melanie; Pflüger, Dirk; Pleiss, Jürgen; Range, Jan; Roy, Sarbani; Takamoto, Makoto; Uekermann, BenjaminResearch Data Management (RDM) has gained significant traction in recent years, being essential to allowing research data to be, e.g., findable, accessible, interoperable, and reproducible (FAIR), thereby fostering collaboration or accelerating scientific findings. We present solutions for RDM developed within the DFG-Funded Cluster of Excellence EXC2075 Data-Integrated Simulation Science (SimTech). After an introduction to the scientific context and challenges faced by simulation scientists, we outline the general data management infrastructure and present tools that address these challenges. Exemplary domain applications demonstrate the use and benefits of the proposed data management software solutions. These are complemented by additional measures for enablement and dissemination to foster the adoption of these techniques.