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The model-aided cathode design for lithium ion batteries is presented, which enables a systematically minimization of loss processes and an increase of power and energy density. The cathode model is parametrized without values from literature by combining microstructure analysis via FIB/SEM tomography and electrochemical impedance spectroscopy and finally validated.

Lithium-Ionen Batterie, Elektromobilität, Impedanz, Kathode, Mikrostruktur,lithium-ion battery, cathode, impedance, microstructure, modeling

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This thesis introduces (i) amendments to basic electrochemical measurement techniques in the time and frequency domain suitable for electrochemical energy conversion systems like fuel cells and batteries, which enable shorter measurement times and improved precision in both measurement and parameter identification, and (ii) a modeling approach that is able to simulate a technically relevant system just by information gained through static and impedance measurements of laboratory size cells.

Electrochemical Impedance Spectroscopy (EIS), Solid Oxide Fuel Cell (SOFC), Lithium-Ion Battery (LIB)

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This book offers a collection of six papers addressing problems associated with the computational modeling of multi-field problems. Some of the proposed contributions present novel computational techniques, while other topics focus on applying state-of-the-art techniques in order to solve coupled problems in various areas including the prediction of material failure during the lithiation process, which is of major importance in batteries; efficient models for flexoelectricity, which require higher-order continuity; the prediction of composite pipes under thermomechanical conditions; material failure in rock; and computational materials design. The latter exploits nano-scale modeling in order to predict various material properties for two-dimensional materials with applications in, for example, semiconductors. In summary, this book provides a good overview of the computational modeling of different multi-field problems.

lithium-ion battery --- fracture analysis --- peridynamics --- pressure gradient effect --- molecular dynamics simulation --- h-BN and Graphene sheets --- thermal conductance --- thermal conductivity --- two-dimensional semiconductor --- first-principles --- mechanical --- thermal --- buried gas distribution pipes --- electrofusion socket joints --- patch repair --- medium density polyethylene (MDPE) --- high density polyethylene (HDPE) --- Von Mises stress --- finite element method --- temperature variation --- flexoelectricity --- meshless method --- composite --- size effect --- level set technique --- rock mechanics --- phase field approach to fracture --- fracture of geo-materials --- cohesive zone model --- interface modeling

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Efficient clean energy harvesting, conversion, and storage technologies are of immense importance for the sustainable development of human society. To this end, scientists have made significant advances in recent years regarding new materials and devices for improving the energy conversion efficiency for photovoltaics, thermoelectric generation, photoelectrochemical/electrolytic hydrogen generation, and rechargeable metal ion batteries. The aim of this Special Issue is to provide a platform for research scientists and engineers in these areas to demonstrate and exchange their latest research findings. This thematic topic undoubtedly represents an extremely important technological direction, covering materials processing, characterization, simulation, and performance evaluation of thin films used in energy harvesting, conversion, and storage.

density functional theory --- electron transfer --- electronic structures --- bond population --- density of states --- nickel oxide --- organic sensitizers --- dye-sensitized solar cells --- nanoparticle deposition system --- few-layer graphene nano-flakes --- supercapacitor --- Cu2ZnSn(S,Se)4 --- Ge incorporation --- annealing --- solar cells --- semitransparent --- organic --- perovskite --- polymer --- solar cell --- transparent conductive electrode --- color perception --- mixed metal oxides --- nanosheet arrays --- nickel-cobalt-molybdenum metal oxide (NCMO) --- supercapacitor --- energy storage --- TiO2 nanotube --- LaFeO3 --- perovskite --- heterojunction --- visible light driven --- photocatalysis --- Al2O3 oxide --- atomic layered deposition --- LiNi0.8Co0.1Mn0.1O2 --- Ni-rich cathode material --- lithium ion battery --- photoelectrochemical --- anode materials --- surface --- water splitting --- thin film --- coatings --- metal-dielectric-metal structure --- Fabry–Perot cavity --- perfect absorption --- halide perovskite --- degradation --- water --- PbI2 formation --- morphology --- thin films --- synthesis --- characterization --- energy harvesting --- energy conversion --- energy storage

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The combination of functional polymers with inorganic nanostructured compounds has become a major area of research and technological development owing to the remarkable properties and multifunctionalities deriving from their nano and hybrid structures. In this context, polyhedral oligomeric silsesquioxanes (POSSs) have increasing importance and a dominant position with respect to the reinforcement of polymeric materials. Although POSSs were first described in 1946 by Scott, these materials, however, have not immediately been successful if we consider that, starting from 1946 and up to 1995, we find in the literature 85 manuscripts regarding POSSs; which means that less than two papers per year were published over 50 years. Since 1995, we observe an exponential growth of scientific manuscripts concerning POSSs. It is changing from an annual average of 20 manuscripts for the period 1995–2000 to an annual average of about 400 manuscripts, with an increase of 2800%. The introduction of POSSs inorganic nanostructures into polymers gives rise to polymer nanostructured materials (PNMs) with interesting mechanical and physical properties, thus representing a radical alternative to the traditional filled polymers or polymer compositions.

direct synthesis --- grafting synthesis --- mercapto-modified --- bridged silsesquioxane --- polyhedral oligomeric silsesquioxanes --- POSS --- composites --- thermal stability --- fluorescent sensors --- nitroaromatic explosives --- polyhedral oligomeric silsesquioxane-based ionic liquids --- self-assembly behaviors --- thiol-ene ‘click’ reaction --- siloxane-silsesquioxane resins --- polypropylene --- thermogravimetry --- cone calorimeter tests --- flame-retardant mechanism --- POSS --- filler --- low refractive material --- thermal stability --- fluoropolymer --- polyhedral oligomeric silsesquioxane (POSS) --- double-decker-shaped silsesquioxane (DDSQ) --- polyimide --- thermal stability --- dielectric constant --- poly(?-caprolactone) nanocomposite --- POSS nanoparticles --- dispersion --- morphology --- thermal properties --- mechanical properties --- surface properties --- phthalonitrile polymers --- phthalonitrile-polyhedral oligomeric silsesquioxane copolymers --- cyanate ester --- blends --- thermal properties --- POSS-based copolymer --- graphene oxide --- flame retardant --- epoxy resin --- giant surfactant --- thiol–ene “click” reaction --- polyhedral oligomeric silsesquioxane (POSS) --- poly(?-caprolactone) --- aqueous self-assembly --- POSS --- ridgid polyurethane foams --- mechanical properties --- cellular structure --- bi-functional POSS --- hydrophobic modification --- thermoplastic polyurethane --- mechanical performance --- silsesquioxanes --- optoelectronics --- OLEDs --- Monomethacryloxy POSS --- lauryl methacrylate --- polymerization kinetics --- anchor effect --- octa-ammonium POSS --- sodium alginate --- hydrogels --- temperature responsiveness --- Octavinyl-POSS --- organic-inorganic crosslinking --- Si@C anode --- lithium ion battery --- mechanism analysis --- monodisperse --- nanocomposites --- damping --- POSS --- liquefied --- benzoxazine --- POSS --- organic-inorganic hybrids --- epoxy resin --- thermal properties --- flame retardancy --- n/a