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Shen, Kuan-Hsuan. "Modeling ion conduction through salt-doped polymers: Morphology, ion solvation, and ion correlations". The Ohio State University, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=osu1595422569403378.
Pełny tekst źródłaKidd, Bryce Edwin. "Multiscale Transport and Dynamics in Ion-Dense Organic Electrolytes and Copolymer Micelles". Diss., Virginia Tech, 2016. http://hdl.handle.net/10919/82525.
Pełny tekst źródłaPh. D.
Karo, Jaanus. "The Rôle of Side-Chains in Polymer Electrolytes for Batteries and Fuel Cells". Doctoral thesis, Uppsala universitet, Strukturkemi, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-100738.
Pełny tekst źródłaShi, Jie. "Ion transport in polymer electrolytes". Thesis, University of St Andrews, 1993. http://hdl.handle.net/10023/15522.
Pełny tekst źródłaSorrie, Graham A. "Liquid polymer electrolytes". Thesis, University of Aberdeen, 1987. http://digitool.abdn.ac.uk/R?func=search-advanced-go&find_code1=WSN&request1=AAIU499826.
Pełny tekst źródłaMcHattie, Gillian S. "Ion transport in liquid crystalline polymer electrolytes". Thesis, University of Aberdeen, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.324432.
Pełny tekst źródłaLacey, Matthew James. "Electrodeposited polymer electrolytes for 3D Li-ion microbatteries". Thesis, University of Southampton, 2012. https://eprints.soton.ac.uk/348605/.
Pełny tekst źródłaChen, Songela Wenqian. "Modeling ion mobility in solid-state polymer electrolytes". Thesis, Massachusetts Institute of Technology, 2019. https://hdl.handle.net/1721.1/122534.
Pełny tekst źródłaCataloged from PDF version of thesis.
Includes bibliographical references (pages 31-32).
We introduce a course-grained model of ion diffusion in a solid-state polymer electrolyte. Among many tunable parameters, we investigate the effect of ion concentration, ion-polymer attraction, and polymer disorder on cation diffusion. For the conditions tested, we find that ion concentration has little effect on diffusion. Polymer disorder creates local variation in behavior, which we call "trapping" (low diffusion) and "free diffusing" (high diffusion) regions. Changing ion-polymer attraction modulates the relative importance of trapping and free diffusing behavior. Using this model, we can continue to investigate how a number of factors affect cation diffusion both mechanistically and numerically, with the end goal of enabling rapid computational material design.
by Songela Wenqian Chen.
S.B.
S.B. Massachusetts Institute of Technology, Department of Chemistry
Maranski, Krzysztof Jerzy. "Polymer electrolytes : synthesis and characterisation". Thesis, University of St Andrews, 2013. http://hdl.handle.net/10023/3411.
Pełny tekst źródłaHekselman, Aleksandra K. "Crystalline polymer and 3D ceramic-polymer electrolytes for Li-ion batteries". Thesis, University of St Andrews, 2014. http://hdl.handle.net/10023/11950.
Pełny tekst źródłaWillgert, Markus. "Solid Polymer Lithium-Ion Conducting Electrolytes for Structural Batteries". Doctoral thesis, KTH, Ytbehandlingsteknik, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-144169.
Pełny tekst źródłaQC 20140410
Willgert, Markus. "Solid Polymer Lithium-ion Conducting Electrolytes for Structural Batteries". Licentiate thesis, KTH, Ytbehandlingsteknik, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-107182.
Pełny tekst źródłaAinsworth, David A. "Crystalline polymer and small molecule electrolytes". Thesis, University of St Andrews, 2010. http://hdl.handle.net/10023/2156.
Pełny tekst źródłaBayrak, Pehlivan İlknur. "Functionalization of polymer electrolytes for electrochromic windows". Doctoral thesis, Uppsala universitet, Fasta tillståndets fysik, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-204437.
Pełny tekst źródłaChintapalli, Mahati. "Ion Transport and Structure in Polymer Electrolytes with Applications in Lithium Batteries". Thesis, University of California, Berkeley, 2017. http://pqdtopen.proquest.com/#viewpdf?dispub=10250632.
Pełny tekst źródłaWhen mixed with lithium salts, polymers that contain more than one chemical group, such as block copolymers and endgroup-functionalized polymers, are promising electrolyte materials for next-generation lithium batteries. One chemical group can provide good ion solvation and transport properties, while the other chemical group can provide secondary properties that improve the performance characteristics of the battery. Secondary properties of interest include non-flammability for safer lithium ion batteries and high mechanical modulus for dendrite resistance in high energy density lithium metal batteries. Block copolymers and other materials with multiple chemical groups tend to exhibit nanoscale heterogeneity and can undergo microphase separation, which impacts the ion transport properties. In block copolymers that microphase separate, ordered self-assembled structures occur on longer length scales. Understanding the interplay between structure at different length scales, salt concentration, and ion transport is important for improving the performance of multifunctional polymer electrolytes.
In this dissertation, two electrolyte materials are characterized: mixtures of endgroup-functionalized, short chain perfluoropolyethers (PFPEs) and lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) salt, and mixtures of polystyrene-block-poly(ethylene oxide) (PS- b-PEO; SEO) and LiTFSI. The PFPE/LiTFSI electrolytes are liquids in which the PFPE backbone provides non-flammability, and the endgroups resemble small molecules that solvate ions. In these electrolytes, the ion transport properties and nanoscale heterogeneity (length scale ~1 nm) are characterized as a function of endgroup using electrochemical techniques, nuclear magnetic resonance spectroscopy, and wide angle X-ray scattering. Endgroups, especially those containing PEO segments, have a large impact on ionic conductivity, in part because the salt distribution is not homogenous; we find that salt partitions preferentially into the endgroup-rich regions. On the other hand, the SEO/LiTFSI electrolytes are fully microphase-separated, solid, lamellar materials in which the PS block provides mechanical rigidity and the PEO block solvates the ions. In these electrolytes longer length scale structure (∼10 nm – 1 μm) influences ion transport. We study the relationships between the lamellar grain size, salt concentration, and ionic conductivity using ac impedance spectroscopy, small angle X-ray scattering, electron microscopy, and finite element simulations. In experiments, decreasing grain size is found to correlate with increasing salt concentration and increasing ionic conductivity. Studies on both of these polymer electrolytes illustrate that structure and ion transport are closely linked.
Spence, Graham Harvey. "New polymer and gel electrolytes for potential application in smart windows". Thesis, Heriot-Watt University, 1998. http://hdl.handle.net/10399/614.
Pełny tekst źródłaYu, Zhou. "Molecular Structure and Dynamics of Novel Polymer Electrolytes Featuring Coulombic Liquids". Diss., Virginia Tech, 2019. http://hdl.handle.net/10919/87049.
Pełny tekst źródłaPh. D.
Polymer electrolytes are an indispensable component in numerous electrochemical devices. However, despite decades of research and development, few existing polymer electrolytes can offer the electrochemical, transport, mechanical, and thermal properties demanded by practical devices and new polymer electrolytes are continuously being developed to address this issue. In this dissertation, the molecular structure and dynamics of three emerging novel polymer electrolytes, i.e., polymerized ionic liquids (polyILs), nanoscale ionic materials (NIMs), and polymeric ion gels, are investigated to understand how their transport and mechanical properties are affected by their molecular design. The study of polyILs focused on the interfacial behavior of a prototypical polyILs supported on neutral and charged quartz substrates. It was shown that the structure and diffusion mechanism of the interfacial polyILs are sensitive to the surface charges of the substrate and can deviate strongly from that in bulk polyILs. The study of NIMs focused on how the transport properties of the dynamically grafted polymers are affected by electrolyte ion pairs. It was discovered that the contaminated ions can affect the conformation the polymeric canopies and the exchange between the “free” and “grafted” polymers. The study of polymeric ion gels focused on the molecular and mesoscopic structure of the ionic liquids in the gel and the mechanisms of ion transport in these gels. It was discovered that the ions exhibit distinct structure at the intermolecular and the interrod scales, suggesting the formation of extensive electrostatic networks in the gel. The dynamics of ions captured in simulations is qualitatively consistent with experimental observations.
Brandell, Daniel. "Understanding Ionic Conductivity in Crystalline Polymer Electrolytes". Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-5734.
Pełny tekst źródłaLiivat, Anti. "Ordering in Crystalline Short-Chain Polymer Electrolytes". Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-7853.
Pełny tekst źródłaTörmä, Erik. "Synthesis and characterisation of solid low-Tg polymer electrolytes for lithium-ion batteries". Thesis, Uppsala universitet, Institutionen för kemi - Ångström, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-226754.
Pełny tekst źródłaGuo, Jiao. "Development of Ion Conductive Polymer Gel Electrolytes and Their Electrochemical and Electromechanical Behavior Studies". University of Akron / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=akron1279140041.
Pełny tekst źródłaOtaduy, Maria Concepcion Garcia. "A nuclear magnetic resonance study of ionic dynamics in solid polymer electrolytes". Thesis, University of Kent, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.263697.
Pełny tekst źródłaLINGUA, GABRIELE. "Newly designed single-ion conducting polymer electrolytes enabling advanced Li-metal solid-state batteries". Doctoral thesis, Politecnico di Torino, 2022. http://hdl.handle.net/11583/2969103.
Pełny tekst źródłaPlylahan, Nareerat. "Electrodeposition of Polymer Electrolytes into Titania Nanotubes as Negative Electrode for 3D Li-ion Microbatteries". Thesis, Aix-Marseille, 2014. http://www.theses.fr/2014AIXM4049.
Pełny tekst źródłaTitania nanotubes (TiO2nts) as potential negative electrode for 3D lithium-ion microbatteries have been reported. Smooth and highly-organized TiO2nts are fabricated by electrochemical anodization of Ti foil in glycerol or ethylene glycol electrolyte containing fluoride ions and small amount of water. As-formed TiO2nts shows the open tube diameter of 100 nm and the length from 1.5 to 14 µm which are suitable for the fabrication of the 3D microcbatteries. The deposition of PMA-PEG polymer electrolyte carrying LiTFSI salt into TiO2nts has been achieved by the electropolymerization reaction. The morphology studies by SEM and TEM reveal that the nanotubes are conformally coated with 10 nm of the polymer layer at the inner and outer walls from the bottom to the top without closing the tube opening. 1H NMR and SEC show that the electropolymerization leads to PMA-PEG that mainly consists of trimers. XPS confirms the presence of LiTFSI salt in the oligomers.The electrochemical studies of the as-formed TiO2nts and polymer-coated TiO2nts have been performed in the half-cells and full cells using MA-PEG gel electrolyte containing LiTFSI in Whatman paper as separator. The half-cell of TiO2nts (1.5 µm long) delivers a stable capacity of 22 µAh cm-2 over 100 cycles. The performance of the half-cell is improved by 45% at 1C when TiO2nts are conformally coated with the polymer electrolyte. The better performance results from the increased contact area between electrode and electrolyte, thereby improving the charge transport
Fujimura, Koji. "Theoretical Studies of Lithium-Ion Diffusion in LISICON-Type Solid Electrolytes". Master's thesis, 京都大学 (Kyoto University), 2013. http://hdl.handle.net/2433/180501.
Pełny tekst źródłaAgapov, Alexander. "Decoupling Phenomena in Dynamics of Soft Matter". University of Akron / OhioLINK, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=akron1321922264.
Pełny tekst źródłaAndersson, Jonas. "Synthesis of polycarbonate polymer electrolytes for lithium ion batteries and study of additives to raise the ionic conductivity". Thesis, Uppsala universitet, Strukturkemi, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-259513.
Pełny tekst źródłaGuha, Thakurta Soma. "Anhydrous State Proton and Lithium Ion Conducting Solid Polymer Electrolytes Based on Sulfonated Bisphenol-A-Poly(Arylene Ethers)". University of Akron / OhioLINK, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=akron1239911460.
Pełny tekst źródłaVijayakumar, V. "Preparation, characterization and application of proton, lithium and zinc-ion conducting polymer electrolytes for supercapacitors, lithium- and zinc-metal batteries". Thesis(Ph.D.), CSIR-National Chemical Laboratory, 2021. http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/5972.
Pełny tekst źródłaUniversity Grants Commissions (UGC), India CSIR, India
AcSIR
Kyeremateng, Nana Amponsah. "Advanced materials based on titania nanotubes for the fabrication of high performance 3D li-ion microbatteries". Thesis, Aix-Marseille, 2012. http://www.theses.fr/2012AIXM4772/document.
Pełny tekst źródłaThe advent of modern microelectronic devices has necessitated the search for high-performance all-solid-state (rechargeable) microbatteries. So far, only lithium-based systems fulfill the voltage and energy density requirements of microbatteries. Presently, there is a need to move from 2D to 3D configurations, and also a necessity to adopt the “Li-ion” or the “rocking-chair” concept in designing these lithium-based (thin-film) microbatteries. This implies the combination of cathode materials such as LiCoO2, LiMn2O4 or LiFePO4 with the wide range of possible anode materials that can react reversibly with lithium. Among all the potential anode materials, TiO2 nanotubes possess a spectacular characteristic for designing 3D Li-ion microbatteries. Besides the self-organized nano-architecture, TiO2 is non-toxic and inexpensive, and the nanotubes have been demonstrated to exhibit very good capacity retention particularly at moderate kinetic rates. The use of TiO2 as anode provides cells with low self-discharge and eliminates the risk of overcharging due to its higher operating voltage (ca. 1.72 V vs. Li+/Li). Moreover, their overall performance can be improved. Hence, TiO2 nanotubes and their derivatives were synthesized and characterized, and their electrochemical behaviour versus lithium was evaluated in lithium test cells. As a first step towards the fabrication of a 3D microbattery based on TiO2 nanotubes, electrodeposition of polymer electrolytes into the synthesized TiO2 nanotubes was also studied; the inter-phase morphology and the electrochemical behaviour of the resulting material were studied
Wang, Ying. "Development and Characterization of Advanced Polymer Electrolyte for Energy Storage and Conversion Devices". Diss., Virginia Tech, 2017. http://hdl.handle.net/10919/83859.
Pełny tekst źródłaPh. D.
Álvarez, Daniel Jardón. "Study of advanced ion conducting polymers by relaxation, diffusion and spectroscopy NMR methods". Universidade de São Paulo, 2016. http://www.teses.usp.br/teses/disponiveis/18/18158/tde-19102016-114611/.
Pełny tekst źródłaO avanço da tecnologia em baterias secundárias de íons lítio envolve o uso de polímeros condutores iônicos como eletrólitos, os quais representam uma solução promissora para obter baterias de maior densidade de energia e segurança. Polímeros condutores são formados através da dissolução de sais de lítio em uma matriz polimérica, como o poli(óxido de etileno) (PEO). Os íons de lítio estão localizados próximos aos oxigênios do PEO, de tal forma que seu movimento está correlacionado com a reorientação das cadeias poliméricas. Espectroscopia por Ressonância magnética nuclear (RMN), junto com medidas de difusão translacional e tempos de relaxação transversal (T2) contribuem para elucidar as estruturas e os processos dinâmicos envolvidos na condutividade iônica. Núcleos com diferente liberdade de movimentação podem ter tempos de T2 diferentes. Experimentos de T2xT2 permitem correlacionar sítios de diferentes propriedades dinâmicas. Neste trabalho, três diferentes polímeros condutores iônicos foram estudados. Primeiro, PEG foi dopado com LiClO4. As propriedades dinâmicas dos íons lítio na fase amorfa foram estudadas com medidas de relaxometria por RMN do núcleo 7Li. Todas as razões de dopagem apresentaram dois T2 diferentes, indicando dos tipos de lítio com dinâmica diferente. A mobilidade, e consequentemente os tempos T2 aumentam com aumento da temperatura. Foi identificado que a dopagem fortemente influencia a dinâmica dos íons lítio, devido à redução da fase cristalina PEG e o aumento da polaridade na amostra. Um máximo local da mobilidade foi observado para y = 8. Com o experimento T2xT2 foram quantificadas as rações de troca entre os dois tipos de lítio. Segundo, o copolímero tribloco PS-PEO-PS dopado com LiTFSI foi analisado através de técnicas de RMN de estado sólido de alta resolução assim como através de medidas de relaxação de 7Li. Medidas de T1ρ e difusão de spin mostraram a influência da dopagem e da razão PS/PEO na mobilidade dos diferentes segmentos e nas distâncias interdomínio das fases lamelares. Terceiro, medidas de difusão através de estados de múltiplos quanta foram feitas em diesterato de polietileno glicol (PEGD) dopado com LiClO4. Estados de triplo quantum foram criados no núcleo 7Li, spin 3/2. Após garantir a eficiência das ferramentas desenvolvidas, foi possível obter coeficientes de difusão confiáveis.
Park, Chanbum. "Structure, dynamics and phase behavior of concentrated electrolytes for applications in energy storage devices". Doctoral thesis, Humboldt-Universität zu Berlin, 2021. http://dx.doi.org/10.18452/22389.
Pełny tekst źródłaElectrolytes can be found in numerous applications in daily life as well as in scientific research. The increases in demand for energy-storage systems, such as fuel cells, supercapacitors and batteries in which liquid electrolyte properties are critical for optimal function, draw critical attention to the physical and chemical properties of electrolytes. Those energy-storage devices contain intermediate or highly concentrated electrolytes where established theories, like the Debye-Hückel (DH) theory, are not applicable. Despite the efforts to describe the physical properties of intermediate or highly concentrated electrolytes, theoretical atomistic-level studies are still lacking. This thesis is devoted to critically investigate the transport/structural properties and a phase behavior of concentrated liquid electrolytes and their application in energy-storage devices, using statistical mechanics and atomistic molecular dynamics (MD) simulations. Firstly, we investigate the structure-property relationship in concentrated electrolyte solutions in next-generation lithium-sulfur (Li/S) batteries. Secondly, phase separation may exist if the physio-chemical properties of liquid mixtures are very different. Recently, the coexistence phase of two aqueous solutions of different salts at high concentrations was found, called aqueous biphasic systems. We explore a wide range of compositions at room temperature for highly concentrated aqueous electrolytes solutions that consist of LiCl and LiTFSI. Lastly, charge screening is a fundamental phenomenon that governs the structure of liquid electrolytes in the bulk and at interfaces. From the DH theory, the screening length is expected to be extremely small in highly concentrated electrolytes. Yet, recent experiments show unexpectedly high screening lengths in those. This intriguing phenomenon has prompted a new set of theoretical works. We investigate the screening lengths for various electrolytes from low to high concentrations.
Crisanti, Samuel Nathan Crisanti. "Effect of Alumina and LAGP Fillers on the Ionic Conductivity of Printed Composite Poly(Ethylene Oxide) Electrolytes for Lithium-Ion Batteries". Case Western Reserve University School of Graduate Studies / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=case1522756200308156.
Pełny tekst źródłaChen, Chao-Hsu. "Atomistic Computer Simulations of Diffusion Mechanisms in Lithium Lanthanum Titanate Solid State Electrolytes for Lithium Ion Batteries". Thesis, University of North Texas, 2014. https://digital.library.unt.edu/ark:/67531/metadc700110/.
Pełny tekst źródłaCosta, Luciano Tavares da. "Simulação computacional de eletrólitos poliméricos baseados em poli (oxietileno) e líquidos iônicos". Universidade de São Paulo, 2007. http://www.teses.usp.br/teses/disponiveis/46/46132/tde-19102007-074147/.
Pełny tekst źródłaMolecular dynamics simulations of polymer electrolytes based on poly (oxyethylene), POE, and ionic liquids derived from 1-alkyl-3-methylimidazolium hexafluorophosphate were performed. We used united atom models, i.e. hydrogen atoms of the PEO chain and 1,3-dialkylimidazolium cations are not explicitly considered. All of the potential parameters for intramolecular terms can be found in previous MD simulations of POE-LiCLO4 and ionic liquids systems. A systematic investigation of ionic liquid concentration, temperature, and the 1-alkyl-chain length, [1,3-dimethylimidazolium]PF6, and [1-butyl-3-methylimidazolium]PF6, effects on resulting equilibrium structure is provided. It is shown that the ionic liquid is dispersed in the polymeric matrix and conformational changes on PEO chains upon addition of the ionic liquid are identified. Long-range correlations are assigned to non-uniform distribution of ionic species within the simulation box. Experimental data were obtained from thermal analysis, x-ray diffraction and electrochemical impedance spectroscopy from poly (ethylene glycol) dimethyl ether, PEGdME, and 1-butyl-3-methylimidazolium hexafluorophosphate. Correlations with previous theoretical results were revealed and coordination of the IL by the polymer occurs mainly in the amorphous phase. It has been obtained ionic conductivity κ ~ 10-3 S.cm-1 for polymer electrolytes at high temperatures. Ionic mobility in PEO/[bmim]PF6 is higher than in PEO/[dmim]PF6 and the structural relaxation in PEO/[dmim]PF6 and PEO/[bmim]PF6 also indicated that the material containing the smaller cation [dmim]+ exhibits more significant slowing down on the dynamics of PEO chains. Clear indications of reduced strength in ion correlations are the distinct time evolution of van Hove correlation functions for anions and cations, and the higher κ/κNE ratio in comparison with, for instance, the PEO/LiClO4.
Frenck, Louise. "Study of a buffer layer based on block copolymer electrolytes, between the lithium metal and a ceramic electrolyte for aqueous Lithium-air battery". Thesis, Université Grenoble Alpes (ComUE), 2016. http://www.theses.fr/2016GREAI041/document.
Pełny tekst źródłaThe lithium-air (Li-air) technology developed by EDF uses an air electrode which works with an aqueous electrolyte, which prevents the use of unprotected lithium metal electrode as a negative electrode. A Li+ ionic conductor glass ceramic (LATP:Li1+xAlxTi2-x(PO4)3) has been used to separate the aqueous electrolyte compartment from the negative electrode. However, this glass-ceramic is not stable in contact with lithium, it is thus necessary to add between the lithium and the ceramic a buffer layer. In another hand, this protection should ideally resist to lithium dendritic growth. Thus, this project has been focused on the study of block copolymer electrolytes (BCE).In a first part, the study of the physical and chemical properties of these BCEs in lithium symmetric cells has been realized especially transport properties (ionic conductivities, transference number), and resistance to dendritic growth. Then, in a second part, the composites BCE-ceramic have been studied.Several characterization techniques have been employed and especially the electrochemical impedance spectroscopy (for the transport and the interface properties), the small angle X-ray scattering (for the BCE morphologies) and the hard X-ray micro-tomography (for the interfaces and the dendrites morphologies). For single-ion BCE, we have obtained interesting results concerning the mitigation of the dendritic growth. The hard X-ray micro-tomography has permitted to show that the mechanism involved in the heterogeneous lithium growth in the case of the single-ion is very different from the one involved for the neutral BCEs (t+ < 0.2)
Hanot, Samuel. "L'eau confinée dans des matériaux nanostructurés". Thesis, Université Grenoble Alpes (ComUE), 2015. http://www.theses.fr/2015GREAY058/document.
Pełny tekst źródłaWater is omnipresent and plays a decisive role in a myriad of processes.However, it is often found hidden in tiny cells, pores, or channels. Insuch cases, the usual “bulk” features of water are modified by thelimited available space and the interactions of individual moleculeswith the confining material. Elucidating the properties of water in suchconfined states is critical and general understanding can only beachieved through models. While water confined in model hard materialssuch as carbon nanotubes is well documented, we found that there existno general model to study water confined in soft materials, althoughthis has been an active research topic for decades and despite thenumerous models specific to one biomolecule or polymer that have beendeveloped. In this thesis, we present a numerical model of waterconfined in soft self-assembled environments, and we provide anunderstanding of how the interplay between water and the confiningmatrix affects the structure of the assemblies and transport propertiesof water. Our model confining matrix is composed of ionic surfactants.This versatile model is able to self-assemble to a wide variety ofconfining geometries.We focus on the role of interfaces in shaping the nanometer scalestructure, and nanosecond scale transport properties. This work is adeparture from the traditional approach to the problem of transport ofwater confined in soft nanomaterials. We show that the usual hypothesisof diffusive water transport does not hold due to trapping of moleculesat the interface with the confining matrix. Instead, we support apicture where transport is sub-diffusive, and we highlight the role ofthe length-scale of the confinement and of its topological features. Wefind that this rationale explains experimental results for waterconfined in synthetic materials, and that it is compatible with recentadvances in the understanding of biological water
Szotkowski, Radek. "Gelové polymerní elektrolyty s nanočásticemi". Master's thesis, Vysoké učení technické v Brně. Fakulta elektrotechniky a komunikačních technologií, 2017. http://www.nusl.cz/ntk/nusl-319296.
Pełny tekst źródłaDam, Tapabrata. "Study of Relaxation Dynamics and Ion Conduction Mechanism of Composite Polymer Electrolyte and Gel Polymer Electrolyte". Thesis, 2017. http://ethesis.nitrkl.ac.in/8736/1/2017_PhD_511PH103_TDam.pdf.
Pełny tekst źródłaKubisiak, Piotr. "Teoretyczne badanie oddziaływań jon-polimer w stałych elektrolitach polimerowych". Praca doktorska, 2011. http://ruj.uj.edu.pl/xmlui/handle/item/42165.
Pełny tekst źródłaLee, Lien-Feng, i 李連峰. "Molecular Dynamics Simulation of Solid Polymer Electrolytes". Thesis, 2001. http://ndltd.ncl.edu.tw/handle/42885031995616046984.
Pełny tekst źródła淡江大學
化學學系
89
Molecular dynamics simulation is used to study the interaction between the ions (e.g. Na+、I-、Li+、CF3SO3- ) and PEO chain in polymer electrolytes in order to understand the behavior of ionic transport .We first calculated the ionic diffusion coefficient based on the data collected from the simulation , and observed :1)Increasing temperature will enhance the ionic conductivities;2) Decreasing concentration also will enhance the ionic conductivities .These two qualitative results are in good agreement with the experiment data. We then established the relationship between the coordinating environment of ions and its conductivities using radial distribution function analysis. Indeed, molecular dynamics simulation technique is a complement tool for studying the mechanism of conductivity in polymer electrolytes.
Indris, Sylvio. "Ion Dynamics in Solid Electrolytes: Li+, Na+, O2−, H+". 2017. https://ul.qucosa.de/id/qucosa%3A31578.
Pełny tekst źródłaChelmecki, Marcin [Verfasser]. "Cellulose based lithium ion polymer electrolytes for lithium batteries / Marcin Chelmecki". 2005. http://d-nb.info/975876422/34.
Pełny tekst źródłaBrooks, Daniel James. "Computational Investigation of Ionic Diffusion in Polymer Electrolytes for Lithium-Ion Batteries". Thesis, 2018. https://thesis.library.caltech.edu/10995/5/brooks_thesis_6_1_18.pdf.
Pełny tekst źródłaHsin-WeiFeng i 馮信為. "Maleic Anhydride Modified Atactic Polypropylene for Gel Polymer Electrolytes of Lithium Ion Batteries". Thesis, 2015. http://ndltd.ncl.edu.tw/handle/51200375897911701126.
Pełny tekst źródła國立成功大學
化學工程學系
103
In this study, atactic-polypropylene grafted maleic anhydride (aPP-g-MA), which was reacted with special poly(ethylene oxide) (PEO), JEFFAMINE® ED-2003 Polyetheramine (XTJ-502), to make polymer thin films, was synthesized. Lithium ion batteries with gel polymer electrolytes are made from our polymer thin films soaked in liquid electrolyte, which consists of 1 M lithium hexafluorophosphate (LiPF6) with EC/DMC/DEC in 1:1:1 wt%. FTIR and TGA were used for characterizing aPP-g-MA. The result of TGA reveals that there is a clear increase in temperature of 5 wt% degradation. The electrochemical windows of our systems for lithium ion batteries reach 4.5 V, and they successfully absorb liquid electrolyte. The relationship between temperature and ionic conductivity obeys Vogel-Tammann-Fulcher (VTF) behavior, and as increasing amount of XTJ-502 in films, the activation energy of ionic conductivity also increases, which is contributed to confinement effect. All of lithium ion transport numbers are smaller than 0.1, because of existence of associated lithium salts and high mobility of negative ions, which are made lithium ion transport numbers relatively small. Finally, the capacities of discharge curves of lithium iron phosphate (LiFePO4) half cell reach 140 mAh/g, but it cannot bear many times of charge and discharge.
Liang, Wuu-Jyh, i 梁武智. "Studies on Preparation and Characterization of Lithium-ion Polymer Electrolytes Based on Polysiloxane Hybrid". Thesis, 2003. http://ndltd.ncl.edu.tw/handle/a6g24j.
Pełny tekst źródła國立成功大學
化學工程學系碩博士班
92
In this dissertation, two categories of novel materials for polymer electrolytes based on polysiloxane hybrid were prepared, and their microstructures associated with ion conduction behavior were investigated. This monograph is divided into four parts as follows: 1. A new hybrid polymer electrolyte system containing polysiloxane and polyether segments is designed and prepared via epoxide-crosslinking. The thermal behavior, structure, and ionic conductivity of the hybrid materials are investigated and characterized by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), 13C solid-state NMR, and alternating current (AC) impedance measurements. Two glass transition temperatures have been observed, showing their dependence on the composition and LiClO4/PC content. The miscibility of the polymer components in the hybrid has been studied by examining the 1H spin-relaxation times in the laboratory frame (T1(H)) and in the rotating frame (T1r(H)) with various compositions. Multi-relaxation T1r(H) behavior has been observed, indicative of the presence of structural heterogeneity at the time scale of T1r(H). These results are correlated and used to interpret the phenomena of conductivity of lithium ion in the matrix of hybrid networks. 2. Solid polymer electrolytes based on epoxide-crosslinked polysiloxane/polyether hybrid (SE55) were characterized by DSC, impedance measurements and 7Li MAS NMR spectra. The DSC results indicate that initially a cation complexation dominated by the crosslink site of SE55 is present, and subsequently the formation of transient cross-links between Li+ ions and the ether oxygens of polyether segment results in an increase in Tg of the polyether segment (Tg1). However, the Tg1 remains almost invariant at the highest salt concentration of O/Li+ = 4. A VTF-like temperature dependence of ionic conductivity is observed, implying that the diffusion of charge carrier is coupled with the segmental motions of the polymer chains, and furthermore, a maximum conductivity value is observed at O/Li+ = 20 in the analyzed temperature range. Significantly, the 7Li MAS NMR spectra provide high spectral resolution to demonstrate the presence of at least two distinct Li+ local environments in SE55-based electrolytes. Detailed analyses of DSC and 7Li MAS NMR spectra results are achieved and discussed in terms of ion-polymer and ion-ion interactions, and further correlated with ion transport behavior. 3. Hybrid organic-inorganic materials derived from 3-glycidoxypropyltrimethoxyl- silane (GPTMS) were prepared via two different synthetic routes: (1) HCl-catalyzed sol-gel approach of silane followed by lithium perchlorate (LiClO4)/HCl catalyzed opening of epoxide; (2) simultaneous gelation of tin/LiClO4 catalyzed silane/epoxide groups. LiClO4 catalyzes the epoxide polymerization, and its effects on the structure of these hybrid materials were studied by solid-state 13C and 29Si CP/MAS NMR. The different synthetic routes have been found to significantly affect the polymerization behaviors of organic and inorganic sides in the presence of LiClO4. Larger amount of LiClO4 promotes the opening of epoxide and leads to the formation of longer PEO chains via HCl-catalyzed sol-gel approach, whereas in the case of tin-catalyzed, the faster polymerization of inorganic side hinders the growth of the organic network. The addition of LiClO4 was proved to be without crystalline salt present in the hybrid networks by wide-angle X-ray powder diffraction. 4. A new class of hybrid ionic conductors with covalent bonds between the organic poly(ethylene oxide) chains and the siloxane phase were prepared based on poly(ethylene glycol) diglycidyl ether (PEGDE) and 3-glycidoxypropyltrisilane (GPTMS) in the presence of lithium perchlorate (LiClO4) which acted as both ionic source and the epoxide ring-opening catalyst. The effect of salt-doped level on the microstructure and ionic conductivity of these composite electrolytes were investigated by means of Fourier transform infra-red (FT-IR) spectroscopy, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), a. c. impedance and multinuclear solid-state nuclear magnetic resonance (NMR) measurements. Specially, DSC results indicate the formation of transient cross-links between Li+ ions and the ether oxygens on complexation with LiClO4 results in an increase in polyether segment Tg. However, the polyether segment Tg decreases at the highest salt concentration (5.0 mmol LiClO4 /g PEGDE). This is ascribed to the plasticizing effect, and can be further confirmed by 13C, 1H and 7Li MAS NMR spectra. Moreover, the behavior of ion transport is coupled with the segmental motions of polymer chains and also correlated with the interactions between ions and polymer host.
洪哲倫. "Study on properties of nano-composites solid polymer electrolytes for rechargeable lithium ion batteries". Thesis, 2003. http://ndltd.ncl.edu.tw/handle/81400207126876239529.
Pełny tekst źródła國立臺灣科技大學
化學工程系
91
The main objective of the present investigation is to develop high ionic conducting and mechanically stable nano-composite solid polymer electrolyte and understanding the mechanism of the lithium ion transport in the composite solid polymer electrolyte. The addition of nano-sized inorganic fillers to the solid polymer electrolyte will improve the ionic conductivity of the polymer electrolyte. The conductivity of the solid polymer electrolyte was depends upon the particle size of the TiO2 nano-particles. The grain growth of TiO2 particles was calcinated at higher temperature could be inhibited successfully by surface modification with HMDS. The TiO2 powder sintered at 500 0C resulted the grain size of the order of less than 5 nm. In the conductivity measurement, the resistance of solid state electrolyte is dependent with the content and particle size of nano-sized TiO2 powder. Especially, PEO—10%LiClO4—5%TiO2 has a highest conductivity of 1.40×10-4S/cm at 30oC. At the same preparation condition, the conductivity of solid state electrolyte with TiO2 additives is ten times higher than that without TiO2 additives. The conductivity increases slightly with the decrease of the particle size of TiO2. In addition, the additives of TiO2 is not only improving the mechanical property of the electrolyte, but also increasing the transfer number of Li+ from 0.25 to 0.5. Furthermore, the electrolysis potential is 5.4 V in solid state electrolyte higher than 4.9 V in liquid electrolyte. In the present investigation, the lithium ion mechanisms, the higher ionic conductivity of PEO-based nano-composite solid polymer electrolyte was due to the addition of TiO2 nano-particles. The addition of nano-particle would be suppressing the crystallinity, which blocks the li ion and improving the amorphous region of the polymer film was observed from DSC results. The Li ion environment in the polymer electrolyte was analyzed by using solid state NMR. We observed that three kinds of possible environment for Li ion exhibits in the composite solid polymer electrolyte, the first, second and third Li ions are, respectively, coordinated with ClO4- anion, oxygen-PEO chain and TiO2 nanoparticles. The C-H stretching energy and dipole moment of the PEO based polymer electrolyte with addition of TiO2 nano-particles was observed from IR spectroscopy. The mobility of the nano-composite solid polymer electrolytes is higher than conventional solid polymer electrolytes which results higher ionic conductivity and lithium ion transference number.
Ward, Ian M., J. J. Kaschmitter, Glen P. Thompson, Simon C. Wellings, H. V. St A. Hubbard i H. P. Wang. "Separator-free rechargeable lithium ion cells produced by the extrusion lamination of polymer gel electrolytes". 2006. http://hdl.handle.net/10454/3332.
Pełny tekst źródłaPolymer gel electrolytes (PGE) based on polyvinylidene fluoride (PVDF), lithium salts and appropriate solvent systems, developed at Leeds University, have been shown to form tough rigid films with conductivities approaching 10¿2 S cm¿1. A continuous process has now been developed for the construction of rechargeable lithium cells by extruding the PGE as a melt and directly laminating between the anode and cathode electrodes. On cooling, the solid PGE acts as electrolyte and separator and binds the cell laminate together from within requiring no external case. This process has been successfully applied for the fabrication of cells with electrodes developed by SpectraPower Inc. in a commercial process enabling cell laminates with PGE thickness less than 0.1 mm and with energy densities approaching 170 Wh kg¿1. A prototype manufacturing facility has been set up to produce rechargeable cells of high specific capacity and high energy density. Future developments will enable rechargeable lithium ion cells to be produced on a continuous process as flat sheets opening the way for novel battery geometries.
Hou-MingSu i 蘇侯名. "Syntheses of Ionized Gel Polymer Electrolytes based on Crosslinked Polyether-Siloxane Hybrids for Lithium-Ion Battery Applications". Thesis, 2015. http://ndltd.ncl.edu.tw/handle/5uzkja.
Pełny tekst źródła國立成功大學
化學工程學系
103
Synthesis of quaternary ammonium salt has been accomplished and characterized with 1H-NMR and FTIR. And this quaternary ammonium salt is added to polyether/siloxane networks via sol-gel approach to form Ionized Gel Polymer Electrolytes based on Crosslinked polyether-Siloxane Hybrids. From SEM analysis and TGA test, we find out microphase separation in polymer system when the proportion of quaternary ammonium salt increases to three quarters. The ionic polymer electrolytes has great electrochemical window and thermal stability up to 4.5 V (vs. Li/Li+) and 400℃. The DSC results indicate that the glass transition temperature of ionic gel polymer electrolyte decreases with the addition of quaternary ammonium.Then the ionic conductivity of ionic polymer electrolyte is enhanced to 5.93*10-3 S cm-1 at 30℃, compared to that of the original polyether/siloxane hybrid(2.18*10-4 S cm-1). Furthermore, the lithium-ion transference number of ionic gel polymer electrolyte is up to 0.568. For battery application, the half-cell specific discharge capacity of gel polymer electrolyte increase from 35mAh/g to 90mAh/g at 5C with the addition of quaternary ammonium salt. Moreover, the full-cell performance of gel polymer electrolyte is as good as commercial separator (100mAh/g at 1C). The above advantages of the ionized gel polymer electrolytes allow it to act as a separator in lithium-ion battery.