abstract: The passivity of metals is a phenomenon of vast importance as it prevents many materials in important applications from rapid deterioration by corrosion. Alloying with a sufficient quantity of passivating elements (Cr, Al, Si), typically in the range of 10% - 20%, is commonly employed to improve the corrosion resistance of elemental metals. However, the compositional criteria for enhanced corrosion resistance have been a long-standing unanswered question for alloys design. With the emerging interest in multi-principal element alloy design, a percolation model is developed herein for the initial stage of passive film formation, termed primary passivation. The successful validation of the assumptions and predictions of the model in three corrosion-resistant binary alloys, Fe-Cr, Ni-Cr, and Cu-Rh supports that the model which can be used to provide a quantitative design strategy for designing corrosion-resistant alloys. To date, this is the only model that can provide such criteria for alloy design.The model relates alloy passivation to site percolation of the passivating elements in the alloy matrix. In the initial passivation stage, Fe (Ni in Ni-Cr or Cu in Cu-Rh) is selectively dissolved, destroying the passive network built up by Cr (or Rh) oxides and undercutting isolated incipient Cr (Rh) oxide nuclei. The only way to prevent undercutting and form a stable protective passive film is if the concentration of Cr (Rh) is high enough to realize site percolation within the thickness of the passive film or the dissolution depth. This 2D-3D percolation cross-over transition explains the compositional dependent passivation of these alloys. The theoretical description of the transition and its assumptions is examined via experiments and kinetic Monte Carlo simulations. The initial passivation scenario of the dissolution selectivity is validated by the inductively coupled plasma mass spectrum (ICP-MS). The electronic effect not considered in the kinetic Monte Carlo simulations is addressed by density functional theory (DFT). Additionally, the impact of the atomic configuration parameter on alloy passivation is experimentally measured, which turns out to agree well with the model predictions developed using Monte Carlo renormalization group (MC-RNG) methods. / Dissertation/Thesis / Doctoral Dissertation Materials Science and Engineering 2020

Silicon photovoltaic (PV) is a promising solution for energy shortage and environmental pollution. We are experiencing an era when PV is exponentially increasing. Global cumulative installation had reached 380 GW in 2017. Among which, silicon-based PV productions share more than 90% market. Performance of the first two-generation commercial popular silicon solar cells - Al-BSF and PERC - are limited by metal/Si contacts, where interface defects significantly reduce the open-circuit voltage. In this context, full-area passivation concepts are proposed for c-Si solar cells, with expectation to enhance the efficiency via reducing carrier recombination loss at the contact regions. In this thesis, poly silicon on oxide (POLO) passivating contact is developed for high efficiency c-Si solar cells. We unveiled the working mechanisms of POLO cells and then optimized the device performance based on our conclusion. We use boiling nitric acid to oxidize c-Si surface, which is of significance to determine the POLO working mechanisms. Phosphorus and boron doped silicon films are deposited by plasma enhanced vapor deposition (PECVD) or low-pressure vapor deposition (LPCVD) followed by high temperature (>800°C) annealing. SiOx structural evolution process under different annealing temperature was observed and the corresponding effects on passivation have been elucidated. The carrier transport mechanisms in the POLO contact annealed at high temperature, e.g. 800°C  900°C, were explored. We unveil that carrier transport in POLO structure is a combination of tunneling and pinhole transport, but dominant at varied temperature regions. Phosphorus-doped n-type POLO contact is optimized by several parameters, such as doping concentration, film thickness, annealing temperature, film deposition temperature, film relaxation time during annealing process, etc. We successfully obtained minority carrier lifetime over 10ms and contact resistivity lower than 30 mΩ·cm2. Boron-doped p-type POLO contact is also optimized by changing the doping concentration and annealing temperature. Finally, further hydrogen passivation is applied to enhance p-type POLO contact passivation, achieving an iVoc>690 mV, J0 <5 fA/cm2 and contact resistivity 1.3 mΩ·cm2. With the optimized n-type and p-type POLO contacts, an efficiency over 18% is achieved on n-type c-Si solar cells with a flat front surface.

The diploma thesis deals with the issue of surface treatment by pickling. In the research part the pickling technology is described in detail. The next chapters are focused on the TIG welding method and the weldability of austenitic stainless steels. In the experimental part an experiment is carried out focusing on the comparison of weight loss and surface quality depending on the pickling time. Part of the conclusion is the implementation of pWPS documentation for the specified component and a brief manual for customers of pickling plant.

This thesis deals with a lifetime measurement of current carriers in silicon solar cell structures. In the first chapter there is a description of several recombination models and their participation at a final effective lifetime value. By using these recombination models in a computer simulation it is possible to receive approximate evaluation of some important silicon solar cell structure parameters. The PC1D simulation program was used for this thesis. For the lifetime measurement of real test-wafers two methods were used: QSSPC (quasi-steady-state photoconductance) and MW-PCD (microwave photoconductance decay). There is a detail description of these methods, used measurements machines and differences between both of them in the chapter four. The main objective of the thesis is mentioned in the last chapter, which is mainly focused on a chemical passivation of silicon wafers and deals with a problem of post-passivation wafer cleaning. There are three passivation techniques mentioned: the iodine in ethanol solution, the iodine and polymer in ethanol solution and the quinhydron in methanol solution. In two cases a results, that are adequate to return the tested wafers in the manufacture process, were achieved.

Thin film solar cells, such as Cu(In,Ga)Se2, have a large potential for cost reductions, due to their reduced material consumption. However, the lack in commercial success of thin film solar cells can be explained by lower efficiency compared to wafer-based solar cells. In this work, we have investigated the aluminum oxide as a passivation layer to reduce recombination losses in Cu(In,Ga)Se2 solar cells to increase their efficiency. Aluminum oxides have been deposited using spatial atomic layer deposition. Blistering caused by post-deposition annealing of thick enough alumina layer was suggested to make randomly arranged point contacts to provide an electrical conduction path through the device. Techniques such as current-voltage measurement, photoluminescence and external quantum efficiency were performed to measure the effectiveness of aluminum oxide as a passivation layer. Very high photoluminescence intensity was obtained for alumina layer between Cu(In,Ga)Se2/CdS hetero-junction after a heat treatment, which shows a reduction of defects at the absorber/buffer layers of the device.

京都大学 / 新制・課程博士 / 博士(人間・環境学) / 甲第23288号 / 人博第1003号 / 新制||人||236(附属図書館) / 2020||人博||1003(吉田南総合図書館) / 京都大学大学院人間・環境学研究科相関環境学専攻 / (主査)教授 内本 喜晴, 教授 高木 紀明, 教授 中村 敏浩 / 学位規則第4条第1項該当 / Doctor of Human and Environmental Studies / Kyoto University / DFAM

The surface and interface of the metal nanoclusters and semiconducting nanomaterials play a key role in determining the electronic structure and overall photophysical properties. A single strand DNA stabilizes the metal nanoclusters, but it also influences the structural change, solvation free energy, and photophysical properties. On the other hand, surface and interface states in Pb and Cd chalcogenide nanomaterials affect the phonon mediated hot carrier relaxation. We applied DFT and DFT based non-adiabatic dynamics methods to study the surface and interface?s effects on the photoexcited processes. In the first part, we have studied the Ag nanoclusters' photophysical properties that are affected by the structural isomers, redox potential, nucleobase passivation, and cluster size. Ag nanoclusters are shown alternative reduction potential, which makes nanoclusters of singlet spin multiplicity thermodynamically favorable. Besides, the optically bright transition in the range of 2.5-3.5 eV is shown metal to ligand charge transfer. It is modulated by the s+p+d orbital mixing in the hole and electron states. We also simulate the charge transfer from the photoexcited PbS QD to organic dye (PDI) attached to the QD surface. Depending on the linker group and the dipole moment of neighboring passivating ligands, the PDI-QD conformations are varies. In response to structural change, the total dipole moment is modulated, changing its electronic structure and hence the photoexcited electron transfer rate from the PbS QD to PDI. We also investigate the inorganic-inorganic interactions in the PbCl2 bridged PbSe NPL and PbSe|CdSe Janus heterostructure. The energy dissipation rate of hot electrons is slower in NPL than the hot hole, while hot e-h relaxed to the band-edge by ?1.0ps in the QD. The slower relaxation rate is rationalized by a large average intraband energy difference and smaller coupling term. Besides, the hot carriers in the NPL are spatially separated by ?1.00 ps, which is a favorable condition for the carrier multiplication process. In Janus QD, (100) interfacial layer creates a structural mismatch in the CdSe part. Besides, the energy offset between the valance localized on PbSe and CdSe part is minimum in the PbSe Janus QD of an interface of (111) facet.

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第19312号 / 工博第4109号 / 新制||工||1633(附属図書館) / 32314 / 京都大学大学院工学研究科電子工学専攻 / (主査)教授 木本 恒暢, 教授 引原 隆士, 准教授 船戸 充 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DFAM

Silicon carbide rectifiers are commercially available since 2001, and MESFET switches are expected to enter the market within a year. Moreover, three inch SiC wafers can be purchased nowadays without critical defects for the device performance and four inch substrate wafers are announced for the year 2005. Despite this tremendous development in SiC technology, the reliability issues like device degradation or high channel mobility still remain to be solved. This thesis focuses on SiC surface passivation and termination, a topic which is very important for the utilisation of the full potential of this semiconductor. Three dielectrics with high dielectric constants, Al2O3, AlN and TiO2, were deposited on SiC with different techniques. The structural and electrical properties of the dielectrics were measured and the best insulating layers were then deposited on fully processed and well characterised 1.2 kV 4H SiC PiN diodes. For the best Al2O3 layers, the leakage current was reduced to half its value and the breakdown voltage was extended by 0.5 kV, reaching 1.6 kV, compared to non passivated devices. As important as the proper choice of dielectric material is a proper surface preparation prior to deposition of the insulator. In the thesis two surface treatments were tested, a standard HF termination used in silicon technology and an exposure to UV light from a mercury lamp. The second technique is highly interesting since a substantial improvement was observed when UV light was used prior to the dielectric deposition. Moreover, UV light stabilized the surface and reduced the leakage current by a factor of 100 for SiC devices after 10 Mrad γ ray exposition. The experiments indicate also that the measured leakage currents of the order of pA are dominated by surface leakage. / QC 20110114

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