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Dissertations / Theses on the topic 'Ionic Solids'

Author: Grafiati

Published: 18 May 2024

Last updated: 31 July 2025

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1

Swaminathan, Narasimhan. "Stress-defect transport interactions in ionic solids." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/28273.

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Thesis (M. S.)--Mechanical Engineering, Georgia Institute of Technology, 2009.<br>Committee Chair: Qu, Jianmin; Committee Member: Kohl,Paul A.; Committee Member: Liu, Meilin; Committee Member: McDowell, David L.; Committee Member: Zhu, Ting.

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2

Melle-Franco, Manuel. "Computer simulation of ionic solids of technological interest." Thesis, University of Kent, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.327447.

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3

Datta, Biswajit. "Exploration of miscellaneous interfaces of some ionic solids and ionic liquids Prevailing in various solvent systems by the process of psysicochemical contrivance." Thesis, University of North Bengal, 2017. http://ir.nbu.ac.in/handle/123456789/2673.

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4

Zachariah, Manesh. "Electronic & ionic conduction & correlated dielectric relaxations in molecular solids." Doctoral thesis, Universitat Politècnica de Catalunya, 2016. http://hdl.handle.net/10803/404446.

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The study of crystalline materials has played a prominent role in solid state physics, whose basic theories were formulated for crystalline matter. However, disordered materials are more abundant in nature than crystalline ones, and, moreover, many practical applications use materials which are weakly or strongly disordered, such as molecular crystals, glasses, plastic crystals, liquids, polymers, or liquid crystals. In glasses, for example, the arrangement of the constituent atoms or molecules lacks any long-range order. From a fundamental viewpoint, we still lack an understanding of the prop

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5

Burgess, Kevin. "Solid-State Nuclear Magnetic Resonance of Exotic Quadrupolar Nuclei as a Direct Probe of Molecular Structure in Organic Ionic Solids." Thesis, Université d'Ottawa / University of Ottawa, 2015. http://hdl.handle.net/10393/31971.

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In the past decade, the field of NMR spectroscopy has seen the emergence of ever more powerful superconducting magnets, which has opened the door for the observation of many traditionally challenging or non-receptive nuclei. In this dissertation, a variety of ionic solids with organic coordination environments are investigated using quadrupolar solid-state NMR experiments with an ultrahigh-field magnet (21.1 T). Two general research directions are presented including a 79/81Br solid-state NMR study of a series of 6 triphenylphosphonium bromides for which single-crystal X-ray structures are r

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6

Swartz, Charles W. "First Principles Calculations for Liquids and Solids Using Maximally Localized Wannier Functions." Diss., Temple University Libraries, 2014. http://cdm16002.contentdm.oclc.org/cdm/ref/collection/p245801coll10/id/274283.

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Physics<br>Ph.D.<br>The field of condensed matter computational physics has seen an explosion of applicability over the last 50+ years. Since the very first calculations with ENIAC and MANIAC the field has continued to pushed the boundaries of what is possible; from the first large-scale molecular dynamics simulation, to the implementation of Density Functional Theory and large scale Car-Parrinello molecular dynamics, to million-core turbulence calculations by Standford. These milestones represent not only technological advances but theoretical breakthroughs and algorithmic improvements as wel

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7

Mbogo, Francis Njagi. "Vibrational spectroscopy and latent symmetry effects in metal tricarbonyls and ionic solids : and dynamics of unusually H-bonded systems." Thesis, University of East Anglia, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.304529.

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8

Shakhov, Alexander. "Structure-Dynamics Relationships in Complex Fluids and Disordered Porous Solids Assessed using NMR." Doctoral thesis, Universitätsbibliothek Leipzig, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-153105.

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A NMR study of the structure-dynamics relationships in heterogeneous materials is presented. In the first part, transport in soft-matter systems is studied using the pulsed field gradient NMR technique (PFG NMR). The molecular crowding effect in biological matter has been addressed using polymer solutions as model systems. By performing ensemble-based diffusion studies, the earlier obtained data on anomalous diffusion have been complemented. The transition to normal diffusion on a larger time scale has been shown. Taking advantages of the NMR approach, transport properties of microemulsions co

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9

Castillo, Adriana. "Structure et mobilité ionique dans les matériaux d’électrolytes solides pour batteries tout-solide : cas du grenat Li7-3xAlxLa3Zr2O12 et des Nasicon Li1.15-2xMgxZr1.85Y0.15(PO4)3." Thesis, Université Paris-Saclay (ComUE), 2018. http://www.theses.fr/2018SACLX107/document.

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L’un des enjeux pour le développement des batteries tout-solide est d’augmenter la conductivité ionique des électrolytes solides. Le sujet de la thèse porte sur l’étude de deux types de matériaux d’électrolytes solides inorganiques cristallins: les Grenat Li7- 3xAlxLa3Zr2O12 (LLAZO) et les Nasicon Li1.15- 2xMgxZr1.85Y0.15(PO4)3 (LMZYPO). L’objectif de cette étude est de comprendre dans quelle mesure les propriétés conductrices des matériaux étudiés sont impactées par des modifications structurales générées soit par un procédé de traitement particulier, soit par une modification de la compositi

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10

Mu, Xiaoke [Verfasser], Hans-Joachim [Akademischer Betreuer] Kleebe, and Peter A. van [Akademischer Betreuer] Aken. "TEM study of the structural evolution of ionic solids from amorphous to polycrystalline phases in the case of alkaline earth difluoride systems: Experimental exploration of energy landscape / Xiaoke Mu. Betreuer: Hans-Joachim Kleebe ; Peter A. van Aken." Darmstadt : Universitäts- und Landesbibliothek Darmstadt, 2013. http://d-nb.info/1107771218/34.

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11

Saha, Sujoy. "Exploration of ionic conductors and Li-rich sulfides for all-solid-state batteries." Electronic Thesis or Diss., Sorbonne université, 2020. https://accesdistant.sorbonne-universite.fr/login?url=https://theses-intra.sorbonne-universite.fr/2020SORUS041.pdf.

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Les besoins croissants en stockage de l’énergie exigent une amélioration continue des batteries lithium-ion. Le mécanisme de redox anionique qui permet d’augmenter la densité d’énergie des électrodes positives mais est associé à divers inconvénients (hystérésis et décroissance de tension, cinétique lente, etc.) qui restent à résoudre. De plus, la sécurité des batteries lithium-ion peut être améliorée en concevant des batteries tout-solide. Dans cette thèse, nous nous sommes d'abord concentrés sur le développement de nouveaux électrolytes solides à base d'oxydes pour des applications dans les b

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12

Yousif, F. N. "Core excitons in ionic systems." Thesis, University of York, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.377291.

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13

Young, Kevin Edward. "Ionic conductivity in silicate - containing solid electrolytes." Thesis, University of Exeter, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.335654.

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14

Rageb, Shakir Mahmud. "Ionic transport in lithium salts and composites." Thesis, University of Kent, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.278268.

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15

Avala, Usha Kranthi. "Ionic Conductivity in Non-Ionic Compounds." TopSCHOLAR®, 2013. http://digitalcommons.wku.edu/theses/1279.

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The main objective of this work is to investigate the ionic conductivity of the drugs under certain conditions and also to compare the ionic conductivities of drugs determined by single surface sensors and parallel plate sensors. The ionic conductivity of various materials at their pre-melt and melt states are studied in order to further study a recently discovered phenomenon. Polar solids like Lidocaine, Ketoconazole, Procainamide and Nifedipine were examined in this study. Experimental studies show an increase in ionic conductivity in both pre-melt (20 -30 °C below melting temperature) and m

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16

Harris, Mark Jonathan. "Phase transitions in related ionic nitrates and carbonates." Thesis, University of Cambridge, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.386688.

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17

Chen, Jing. "Solution and solid state interactions between ionic [pi]-systems." Lexington, Ky. : [University of Kentucky Libraries], 2006. http://lib.uky.edu/ETD/ukychem2006d00388/DISSERTATION%5FJING%5FCHEN.pdf.

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Thesis (Ph. D.)--University of Kentucky, 2006.<br>Title from document title page (viewed on March 28, 2006). Document formatted into pages; contains xiv, 167 p. : ill. (some col.). Includes abstract and vita. Includes bibliographical references (p. 128).

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18

Chen, Jing. "SOLUTION AND SOLID STATE INTERACTIONS BETWEEN IONIC π-SYSTEMS". UKnowledge, 2006. http://uknowledge.uky.edu/gradschool_diss/289.

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Although attractive interactions between π systems (π-π interaction) have been known for many years, understanding of its origin is still incomplete. Quantitative measuring of π-stacking is challenging due to the weak nature of the π-π interaction. This dissertation aims at elucidating a quantitative conformational analysis by NMR ring current anisotropy of an organic compound capable of intramolecular π-stacking in solution and studying charge effects on the stacking of π-systems. This dissertation offers four contributions to the area. (1) A general approach to four-state, conformational ana

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19

Oleksy, Anna. "Wetting transitions of ionic solutions at charged solid substrates." Thesis, University of Cambridge, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.611681.

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20

Hjalmarsson, Nicklas. "Ionic liquids : The solid-liquid interface and surface forces." Doctoral thesis, KTH, Yt- och korrosionsvetenskap, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-186267.

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Ionic liquids (ILs) present new approaches for controlling interactions at the solid-liquid interface. ILs are defined as liquids consisting of bulky and asymmetric ions, with a melting point below 373 K. Owing to their amphiphilic character they are powerful solvents but also possess other interesting properties. For example, ILs can self-assemble and are attracted to surfaces due to their charged nature. As a result, they are capable of forming nanostructures both in bulk and at interfaces. This thesis describes how the solid-IL interface responds to external influences such as elevated temp

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21

Martins, Dália Teresa Al-Alavi. "Compact ion-source based on superionic rubidium silver iodide (RbAg4I5) solid electrolyte." Master's thesis, Faculdade de Ciências e Tecnologia, 2013. http://hdl.handle.net/10362/11037.

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Dissertação para obtenção do Grau de Mestre em Engenharia Física<br>A compact ion-beam source based on rubidium silver iodide (RbAg4I5) solid electrolyte, deposited on a sharpened silver tip, has been developed and studied. Through an accelerating potential above 10 kV, established between emitter and collector, silver positive ions move through the electrolyte towards the emitting surface, where they are emitted from and accelerated. Via partial redox reaction occurring at the silver/RbAg4I5 interface, silver atoms are oxidised into Ag+ ions and migrate into the electrolyte, compensating the

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22

Koronaios, Peter. "Studies of transport and thermodynamic properties of ionic liquids." Thesis, University of Southampton, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.243047.

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23

Chable, Johann. "Électrolytes solides fluorés pour batteries tout solide à ions F-." Thesis, Bordeaux, 2015. http://www.theses.fr/2015BORD0276/document.

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Ce travail porte sur la synthèse, la mise en forme et la caractérisation desolutions solides de type tysonite RE1-xMxF3-x (RE = La, Sm, Ce et M = Ba, Ca, Sr). Dans unpremier temps, une démarche d’étude rigoureuse est mise en place pour la solution solide ditede référence, La1-xBaxF3-x. Les synthèses menées à l’état solide aboutissent à une maîtrise dela composition chimique et à l'établissement de lois de variations des paramètres structuraux.Une meilleure compréhension de l’influence de la structure sur la mobilité des ions F- estégalement acquise. L’influence du frittage dans l’obtention de

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24

Anaredy, Radhika Sudhakar. "The study of ionic liquid behavior at solid-liquid interfaces." Diss., University of Iowa, 2018. https://ir.uiowa.edu/etd/6540.

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Ionic liquids are organic salts with room temperature melting points. Their unique physicochemical properties make them popular choices in the fields of tribology, energy storage and production, and extractions. Previous studies show that IL’s interfacial volume, extending some nanometers from an adjacent surface, is characterized by the self-assembly of IL molecules into ordered structures. This ordering imparts unique properties which often govern the properties of ILs and affect their application in the aforementioned areas. This thesis describes research conducted to understand the behavio

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25

Zhang, Long. "CHARGE TRANSPORT IN ELECTRONIC-IONIC COMPOSITES." UKnowledge, 2017. http://uknowledge.uky.edu/cme_etds/79.

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The goal of this thesis is to generate fundamental understandings of charge transport behaviors of composites consisting of garnet structured Al substituted Li7La3Zr2O12 (LLZO) electrolyte and LiCoO2 electrode. In order to take full advantage of all-solid-state batteries, bulk type composite electrodes should be introduced to increase energy and power density. However, the charge utilization of bulk type composite electrodes is quite low. Understanding ionic conduction behavior is, therefore, important for improving the performance of all-solid-state batteries, because ion conduction within so

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26

Hammam, E. S. "Studies of the electrical properties of solid ionic halides and oxides." Thesis, University of Kent, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.374832.

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27

Wang, Xiaodi. "Ionic Conducting Composite as Electrolyte forLow Temperature Solid Oxide Fuel Cells." Licentiate thesis, KTH, Functional Materials, FNM, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-24723.

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<p>Solid oxide fuel cells (SOFCs) are considered as one of the most promising powergeneration technologies due to their high energy conversion efficiency, fuel flexibilityand reduced pollution. The current SOFCs with yttria-stabilized zirconia (YSZ)electrolyte require high operation temperature (800-1000 °C), which not only hinderstheir broad commercialization due to associated high cost and technologicalcomplications. Therefore, there is a broad interest in reducing the operating temperatureof SOFCs. The key to development of low-temperature SOFCs (LTSOFCs) is to explorenew electrolyte materi

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28

Zhang, Yuelan. "Synthesis and Characterization of Nanostructured Electrodes for Solid State Ionic Devices." Diss., Georgia Institute of Technology, 2006. http://hdl.handle.net/1853/14000.

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The demands for advanced power sources with high energy efficiency, minimum environmental impact, and low cost have been the impetus for the development of a new generation of batteries and fuel cells. One of the key challenges in this effort is to develop and fabricate effective electrodes with desirable composition, microstructure and performance. This work focused on the design, fabrication, and characterization of nanostructured electrodes in an effort to minimize electrode polarization losses. Solid-state diffusion often limits the utilization and rate capability of electrode materials i

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29

ruan, cunfan. "Constructing an Ionic diode using Solid Supported Lipid bilayers: A Proposal." Scholarship @ Claremont, 2018. http://scholarship.claremont.edu/cmc_theses/1829.

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Ionic-type transistors are important devices for precise chemical control and biosensing applications. Previous work by Tybrandt et al. has demonstrated a novel approach to constructing an ionic transistor using conducting polymers poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) and quarternized- polyvinyl benzyl chloride (q-PVBC). This approach could be combined with the 3D stamp method of generating concentration gradients in supported lipid bilayers (SLBs) as shown by Liu et al. to create a charged lipid-based ionic polar junction transistor. An electric potential applied

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30

Zhao, Qichao. "Ionic Liquid Materials as Gas Chromatography Stationary Phases and Sorbent Coatings in Solid-Phase Microextraction." University of Toledo / OhioLINK, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1320963975.

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31

Xie, ZongHai. "Nuclear spin relaxation studies of ionic and defect mobility in lithium oxide." Thesis, University of Kent, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.387044.

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32

Otaduy, 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.

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33

Joshi, Manishkumar Dilipkumar. "Synthesis of New Classes of Ionic Liquids and Polymeric Ionic Liquids and their Applications in Microextraction Techniques." University of Toledo / OhioLINK, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1372871956.

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34

Given, M. J. "The influence of ions on water tree growth in polyethylene." Thesis, University of Strathclyde, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.381492.

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35

De, Vita Alessandro. "The energetics of defects and impurities in metals and ionic materials from first principles." Thesis, Keele University, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.332301.

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The study of defects in metals and ionic solids has been the subject of great theoretical and experimental interest, in basic as well as applied research areas. The present work collects two series of calculations on the energetics of a variety of defective systems, in a metal host matrix (Al), and in two ionic oxides (MgO and Li20) . The energetics and the electronic ground state of the vacancy, of the self-interstitial, and of the hydrogen impurity systems in Al were investigated. The formation and migration energies of Schottky defects in MgO and Frenkel Defects in Li20 were also studied. A

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36

Sivapalan, Nagalingam. "Electrical and electrochemical studies of some solid electrolytes." Thesis, University of Cambridge, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.236018.

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In Chapter 1 solid electrolytes are reviewed. The historical development, mechanism of ionic conduction in solids and the properties and applications of important solid electrolytes are given. Chapter 2 discusses impedance methods as applied to electrochemistry and the equivalent circuit representation of the solid electrolyte/electrode interface. The application of a computer program that gives theoretical impedance and/or admittance plots is also described. The application of four-electrode conductivity measurements to solid electrolytes is described in Chapter 3. Since this is the first tim

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37

Bokun, G. S., Ya G. Groda, R. N. Lasovsky, and V. S. Vikhrenko. "Charge Distribution Around Nanoscale Nonhomogeneities in Solid State Ionics." Thesis, Sumy State University, 2015. http://essuir.sumdu.edu.ua/handle/123456789/42717.

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The system of Nernst-Planck-Poisson equations is modified by including the gradient terms in the chemical potential expression. The gradient terms are important in the regions of significant inhomogeneities, e. g. near the interface boundaries. These modified equations are used for investigating the particle density distribution in the vicinity of interphase boundary of a solid electrolyte. The differential equation of the fourth order for the problem of contact between two solid phases is formulated. Its analytic solution which describes non monotonic distribution of charge in both phases is

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38

Santos, Ana Rute Duarte dos. "Study on solubility of pharmaceutical compounds in ionic liquids." Master's thesis, Faculdade de Ciências e Tecnologia, 2013. http://hdl.handle.net/10362/9660.

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Dissertation to obtain the degree of master in Chemical and Biochemical Engineering<br>The sufficient solubility of N-acetyl-L-cysteine (NAC), coumarin (COU) and 4-hydroxycoumarin (4HC) in alternative solvents obtained in this work can open new perspectives in pharmaceutical processing. Solid–liquid equilibrium (SLE) measurements have been made using a dynamic (synthetic) method. The melting point and the enthalpy of fusion of the pharmaceutical compounds were acquired using differential scanning calorimetry (DSC). The solubility of N-acetyl-L-cysteine and 4-hydroxycoumarin in trifluoromethane

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39

Najafi, Ali. "Application of Polymeric Ionic Liquid Solid-Phase Microextraction Sorbent Coatings and Ionic Liquid Stationary Phases for Liquid and Multidimensional Gas Chromatographic Techniques." University of Toledo / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1449846148.

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40

Chiabrera, Francesco Maria. "Interface Engineering in Mixed Ionic Electronic Conductor Thin Films for Solid State Devices." Doctoral thesis, Universitat de Barcelona, 2019. http://hdl.handle.net/10803/667601.

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Interface-dominated materials such as nanocrystalline thin films have emerged as an enthralling class of materials able to engineer functional properties of transition metal oxides widely used in energy and information technologies. In this direction, it has been recently proved that grain boundaries (GBs) in the perovskite La1-xSrxMnO3±δ (manganite) deeply impact its functional properties, boosting the oxygen mass transport while abating the electronic and magnetic order. The impact of grain boundary in nanocrystalline thin films is so relevant to radically change the behaviour of the materia

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41

Petit, Dominique, Jean-Pierre Korb, Pierre Levitz, Jean LeBideau, and D. Brevet. "Molecular dynamics of ionic liquids confined in solid silica matrix for lithium batteries." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-191885.

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We present the first results of the magnetic field dependence of the longitudinal nuclear magnetic relaxation of anion-cation pair of ionic liquids (Li+-ionogels) confined within a silica-like mesoporous matrices designed for lithium batteries. These results are in favour of a very-correlated dynamical motion of the anion-cation pair within the solid and disordered silica matrix.

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42

Petit, Dominique, Jean-Pierre Korb, Pierre Levitz, Jean LeBideau, and D. Brevet. "Molecular dynamics of ionic liquids confined in solid silica matrix for lithium batteries." Diffusion fundamentals 10 (2009) 7, S. 1-3, 2009. https://ul.qucosa.de/id/qucosa%3A13045.

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We present the first results of the magnetic field dependence of the longitudinal nuclear magnetic relaxation of anion-cation pair of ionic liquids (Li+-ionogels) confined within a silica-like mesoporous matrices designed for lithium batteries. These results are in favour of a very-correlated dynamical motion of the anion-cation pair within the solid and disordered silica matrix.

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43

Chinnam, Parameswara Rao. "MULTI-IONIC LITHIUM SALTS FOR USE IN SOLID POLYMER ELECTROLYTES FOR LITHIUM BATTERIES." Diss., Temple University Libraries, 2015. http://cdm16002.contentdm.oclc.org/cdm/ref/collection/p245801coll10/id/311780.

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Chemistry<br>Ph.D.<br>Commercial lithium ion batteries use liquid electrolytes because of their high ionic conductivity (>10-3 S/cm) over a broad range of temperatures, high dielectric constant, and good electrochemical stability with the electrodes (mainly the cathode cathode). The disadvantages of their use in lithium ion batteries are that they react violently with lithium metal, have special packing needs, and have low lithium ion transference numbers (tLi+ = 0.2-0.3). These limitations prevent them from being used in high energy and power applications such as in hybrid electric vehicles (

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44

Pornprasertsuk, Rojana. "Ionic conductivity studies of solid oxide fuel cell electrolytes and theoretical modeling of an entire solid oxide fuel cell /." May be available electronically:, 2007. http://proquest.umi.com/login?COPT=REJTPTU1MTUmSU5UPTAmVkVSPTI=&clientId=12498.

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45

Currie, David Blake. "A study of cation replacement in perovskite-related systems including high temperature superconductors." Thesis, University of the West of Scotland, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.254391.

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46

Keen, David Anthony. "Determination of the structure of disordered materials by neutron scattering." Thesis, University of Oxford, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.253382.

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47

Tole, Philip. "Ab initio studies of polarisabilities of ions in crystals." Thesis, University of Exeter, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.236521.

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48

Cox, Paul Andrew. "Theoretical and experimental studies of superionic mixed-metal fluorides." Thesis, Keele University, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.277151.

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49

Saha, Sudipto. "Lithium Ionic Conductivity and Stability Of Cubic Li7La3Zr2O12 Solid Electrolyte A First-Principles Study." Thesis, North Dakota State University, 2020. https://hdl.handle.net/10365/32052.

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Garnet structured cubic LLZO crystal (Li56La24Zr16O96) is one of the most promising solid electrolytes for next-generation solid-state lithium-ion batteries. Ab initio molecular dynamics simulations have been employed to study the impacts of lithium vacancy defect and doping concentration on the lithium ionic conductivity and stability of LLZO. The number of lithium atoms in a unit cell of LLZO has been reduced from 56 to 53, where 56 lithium atoms represent the structure of stoichiometric LLZO, i.e., Li7La3Zr2O12. Similarly, the effect of Al and Ga doping on the conductivity and stability of

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50

WInd, Julia. "A combined experimental and computational approach to understanding and developing new solid-state ionic conductors." Thesis, The University of Sydney, 2017. http://hdl.handle.net/2123/17610.

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Materials that exhibit significant mobility of several different types of charge carriers (e.g., oxide ions, protons and electrons) have diverse potential applications as fuel-cell membranes, electrodes, batteries, and sensors. A thorough understanding of the fundamental atomic-scale mechanisms of the conduction processes in these materials and their relationship to chemical composition, crystal structure and lattice dynamics is necessary to suggest ways in which the local chemistry and structure of these materials can be modified to lower activation barriers and optimise pathways for conducti

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