Дисертації з теми "Solid-state mechanisms"
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Schmitz, Guido [Verfasser]. "Microstructural mechanisms of solid state interreactions / Guido Schmitz." Münster : Universitäts- und Landesbibliothek der Westfälischen Wilhelms-Universität, 2004. http://d-nb.info/1042742332/34.
Повний текст джерелаPurser-Hallard, Beatrice. "Kinetics and mechanisms of solid-state phase transitions and reactions." Thesis, Open University, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.422026.
Повний текст джерелаMeere, Gerard Martin. "Non-linear diffusion mechanisms in compound semiconductors." Thesis, University of Nottingham, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.335789.
Повний текст джерелаFitzgerald, Emma T. "Studies of surface reaction mechanisms for chemical beam epitaxial growth." Thesis, University of Oxford, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.317723.
Повний текст джерелаChen, Giin-Shan. "Mechanisms of direct electron beam nanolithography and nanostructure fabrication methods." Thesis, University of Cambridge, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321028.
Повний текст джерелаFrench, Catherine Louise. "Surface science investigations of reaction mechanisms in semiconductor growth and etching." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.305988.
Повний текст джерелаKirk, Andrew Graham. "An investigation of electrical dissipation mechanisms in high-Tâ†c superconductors." Thesis, University of Nottingham, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.240191.
Повний текст джерелаBrown, Simon D. "Magnetization reversal mechanisms and remanent states in magneto-optic thin films." Thesis, Keele University, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.259551.
Повний текст джерелаMurrell, M. P. "A study of the oxidation mechanisms of silicon, using nuclear reaction analysis." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.293545.
Повний текст джерелаSpruce, G. "A study of parameters affecting switching mechanisms in chiral smectic liquid crystals." Thesis, Glasgow Caledonian University, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376568.
Повний текст джерелаZong, Zhixin. "Studies on the mechanisms of solid state and solution instability of drugs." Diss., University of Iowa, 2011. https://ir.uiowa.edu/etd/2795.
Повний текст джерелаKhan, Mohammad Younis. "The mechanisms of plastic flow in semi-plastic crystals under the hardness indentation." Thesis, University of Cambridge, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.279911.
Повний текст джерелаLevoguer, Carl Louis. "An investigation of surface reaction mechanisms during thin film growth of compound semiconductors." Thesis, University of Oxford, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.260715.
Повний текст джерелаEarl, Joseph Stewart. "A model of time dependence and mechanisms of magnetisation reversal in magneto-optic media." Thesis, Keele University, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.245878.
Повний текст джерелаRahman, M. Habibur. "Optical properties and electrical conduction mechanisms of electron beam evaporated Cu-GeO2 thin cermet films." Thesis, Brunel University, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.241553.
Повний текст джерелаGrenier, Antonin. "Development of solid-state Fluoride-ion Batteries : cell design, electrolyte characterization and electrochemical mechanisms." Thesis, Paris 6, 2016. http://www.theses.fr/2016PA066128/document.
Повний текст джерелаSolid-state fluoride-ion batteries rely on the reversible exchange of the F- ion between a metal and a metal fluoride through a solid electrolyte. These electrochemical devices can theoretically reach energy densities superior to conventional Li-ion commercial batteries. Consequently, fluoride-ion batteries can be seen as a new promising chemistry generating a growing interest. In this context, a part of our work has been dedicated to the development of a cell allowing the evaluation of their electrochemical performance. Moreover, particular attention was given to the electrochemical properties of the solid electrolyte, BaF2-doped LaF3, La1-xBaxF3-x. Finally, the structural changes taking place at the electrodes upon charge/discharge were studied in order to gain insight into the electrochemical mechanisms involved in these devices
de, Vries Edgar. "Mechanics and mechanisms of ultrasonic metal welding." The Ohio State University, 2004. http://rave.ohiolink.edu/etdc/view?acc_num=osu1078415529.
Повний текст джерелаChen, 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/.
Повний текст джерелаRaghunathan, Vinodhkumar. "Elucidation of molecular recognition mechanisms of a peptide involved in biomineralization using solid state nuclear magnetic resonance spectroscopy /." Thesis, Connect to this title online; UW restricted, 2006. http://hdl.handle.net/1773/8644.
Повний текст джерелаLeoni, Stefano. "Theoretical and Experimental Investigations on Solid State Reactions: Phase Transition Mechanisms, Ionic Conduction, Domain Formation and Interface Reactivity." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2012. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-79219.
Повний текст джерелаHsia, Chungwei. "Mechanisms and rate of solid state diffusion in iridium-hafnium intermetallic compound (iridium(3) hafnium) and calcium sulfate /." The Ohio State University, 1993. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487848078448938.
Повний текст джерелаTodd, Devin Marlin James. "The Mechanisms of Luminescence from ZnO Under Electron Irradiation." Wright State University / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=wright1341465661.
Повний текст джерелаWilliams, Robert Earl Jr. "Simulation and Characterization of Cathode Reactions in Solid Oxide Fuel Cells." Diss., Georgia Institute of Technology, 2007. http://hdl.handle.net/1853/16309.
Повний текст джерелаDing, Weixuan. "Syntheses of ternary oxyhydrates and oxides in the calcium-uranium system : stoichiometric influences on their structural affinity, precipitation mechanisms, and solid-state transformations." Thesis, University of Leeds, 2017. http://etheses.whiterose.ac.uk/19431/.
Повний текст джерелаMuralidharan, Priyadarshini, and Priyadarshini Muralidharan. "Advanced Design and Development of Novel Microparticulate/Nanoparticulate Dry Powder Inhalers Targeting Underlying Mechanisms in Respiratory Diseases." Diss., The University of Arizona, 2017. http://hdl.handle.net/10150/626331.
Повний текст джерелаLeoni, Stefano [Verfasser], Gotthard [Akademischer Betreuer] Seifert, Michael [Akademischer Betreuer] O'Keeffe, and Yuri [Akademischer Betreuer] Grin. "Theoretical and Experimental Investigations on Solid State Reactions: Phase Transition Mechanisms, Ionic Conduction, Domain Formation and Interface Reactivity / Stefano Leoni. Gutachter: Gotthard Seifert ; Michael O'Keeffe ; Yuri Grin." Dresden : Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2012. http://d-nb.info/1067729623/34.
Повний текст джерелаElbagerma, Mohamed A. "Analytical method development for structural studies of pharmaceutical and related materials in solution and solid state : an investigation of the solid forms and mechanisms of formation of cocrystal systems using vibrational spectroscopic and X-ray diffraction techniques." Thesis, University of Bradford, 2010. http://hdl.handle.net/10454/4467.
Повний текст джерелаLafuente, Hernández Mª Pilar. "Computational Study of the Mechanisms that Stabilize Organic Molecule‐Based Magnets." Doctoral thesis, Universitat de Barcelona, 2016. http://hdl.handle.net/10803/400864.
Повний текст джерелаEl objetivo de esta tesis ha sido estudiar computacionalmente las bases teóricas del magnetismo molecular para poder utilizar el conocimiento adquirido en el diseño de materiales magnéticos moleculares. Hemos analizado los mecanismos a través del enlace (TB: through-bond) y a través del espacio (TS: through-space) que estabilizan moléculas de alto spin (radicales) y sus interaccionan intermoleculares ferromagnéticas. Para llevar a cabo dichos estudios se han utilizado métodos híbridos como el Molecular Mechanics Valence Bond (MMVB), métodos DFT como el B3LYP y métodos ab-initio como MP2, CASSCF, y CASMP2. Así pues, por un lado, se ha estudiado la estabilidad de moléculas orgánicas de alto spin y su posible polimerización manteniendo su alta multiplicidad de spin. Se ha llegado a la conclusión que el mecanismo TS es de menor coste energético que el TB. Por lo tanto, los radicales cuyos centros de spin se estabilizan a través del enlace TB son más estables. Asimismo, compuestos que presentan ambos mecanismos, los estados de spin de los estados fundamental y primer excitado vendrán determinados por el mecanismo TS. Por otro lado, se estudiaron las interacciones intermoleculares entre radicales, con el objetivo de establecer las condiciones que favorecen las que son ferromagnéticas. En este contexto, se evaluó la teoría denominada McConnell-I. Tras metódicos estudios de la interacción entre dos radicales (H2NO·, ·CH3 y ·C2H6) en diferentes orientaciones en el espacio, se concluyó que el ámbito de aplicación de esta teoría está limitado a cuando los centros de spin interaccionan en planos paralelos y existe una interacción TS predominante. Estudios adicionales en cristales de la familia α-nitronil nitróxido demostraron que la teoría de McConnell-I no se puede aplicar de forma general a cualquier interacción intermolecular entre radicales. Se observó que esta teoría no predice correctamente el comportamiento magnético de cristales cuando se analiza sólo la interacción entre los átomos que contienen mayoritariamente la densidad de spin (ONCNO). Así pues, el estudio se debe ampliar a otros contactos entre las moléculas para poder describir correctamente el comportamiento magnético observado. Finalmente hemos establecido que, en sales de transferencia de carga, se dan casos de dimerización de las especies constituyentes, por ejemplo tetracianoetileno (TCNE), cuando la repulsión entre especies de la misma carga se minimiza por la presencia de contra-iones o disolventes polares. De esta manera, se favorece la formación del enlace en el dímero al permitir la interacción de los electrones desapareados.
Rodriguez, Alonso Elvira. "Contribution to the study of formation mechanisms of condensable by-products from torrefaction of various biomasses." Phd thesis, Toulouse, INPT, 2015. http://oatao.univ-toulouse.fr/15784/1/Rodriguez_Alonzo_Elvira.pdf.
Повний текст джерелаLechner, Ruep Ekkehard, Goetz Schuck, and Klaus Langer. "Mechanism of proton conduction in solid-state protonic conductors." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-186538.
Повний текст джерелаGottardo, Laura. "Élaboration, traitement et propriétés des fibres SiBCN obtenues par voie PDC." Thesis, Lyon 1, 2009. http://www.theses.fr/2009LYO10200.
Повний текст джерелаBoron-based ceramic materials in the quaternary Si-B-C-N system are of great interest because of their covalent bonding and the poor mobility of boron and silicon elements in their respective nitride and carbide which both provide mechanical reliability and high temperature stability. In recent years, the PDCs route became of increasing interest for the preparation of such advanced ceramics. Using the general polymer thermolysis route, a large variety of net-shaped polymerderived ceramics can be built up from molecular units and shaped by controlling the structure of the molecular units as well as the polymerization and thermolysis procedures. Interestingly, the direct polymer thermolysis route makes polymers compatible with many shaping techniques such as infiltration or melt-spinning offering the opportunity to realize complex shapes/structures in a simple and cost-efficient way.The first generation of such fibers obtained from a polymer type [B(C2H4SiCH3NCH3)3]n showed good mechanical properties and thermal stability. This document is about the development of such a polymer in order to optimize spinnability and fibers quality throught synthesis modification and thermolysis treatments. Moreover, design of new preceramic polymers is investigate to produce a new generation of SiBCN fibers
Boudghene, Stambouli Amine. "Degradation mechanism in zinc sulphide/manganese electroluminescent displays." Thesis, University of Nottingham, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.328389.
Повний текст джерелаIna, Toshiaki. "Study on Cathodic Reaction Mechanism of All Solid State Electrochemical Devices." Kyoto University, 2012. http://hdl.handle.net/2433/157658.
Повний текст джерела0048
新制・課程博士
博士(人間・環境学)
甲第16947号
人博第590号
新制||人||141(附属図書館)
23||人博||590(吉田南総合図書館)
29622
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 杉山 雅人, 教授 田部 勢津久, 准教授 藤原 直樹, 准教授 雨澤 浩史
学位規則第4条第1項該当
Pandey, Devashish. "Quantum transport in Solid state devices for Terahertz frequency applications." Doctoral thesis, Universitat Autònoma de Barcelona, 2020. http://hdl.handle.net/10803/671285.
Повний текст джерелаEl trabajo presentado en esta tesis está dedicado a la comprensión de desafíos prácticos y conceptuales en la simulación de propiedades dinámicas más allá de la aproximación cuasiestática en dispositivos cuánticos de estado sólido en escenarios donde es necesario un tratamiento mecánico cuántico completo. Los resultados de esta tesis son particularmente relevantes para el cálculo de las fluctuaciones de la corriente eléctrica en el régimen THz, la evaluación de los tiempos de tunelización que definen la frecuencia de corte de los dispositivos operados por alta frecuencia, o la evaluación del trabajo termodinámico para realizar motores térmicos cuánticos. Las propiedades dinámicas mencionadas anteriormente implican medidas en múltiples tiempos y, por lo tanto, son sensibles a la ""retroacción "" cuántica de la medida. En el contexto de la mecánica cuántica ortodoxa, la definición de estas propiedades dinámicas no puede separarse de la especificación del aparato de medida. Es decir, definir propiedades dinámicas intrínsecas o independientes del aparato de medida es incompatible con los postulados de la mecánica cuántica ortodoxa. Con todo, un ingeniero de dispositivos como yo, que trabaja en problemas prácticos relacionados con los dispositivos de estado sólido presentes y futuros, se ve obligado a profundizar en los fundamentos de la mecánica cuántica. En este sentido, mostraré que las dificultades asociadas a la comprensión de las propiedades dinámicas se pueden resolver mirando más allá de la mecánica cuántica ortodoxa. En particular, he explorado la interpretación modal de la mecánica cuántica, que es una teoría cuántica matemáticamente precisa que reproduce todos los fenómenos de la mecánica cuántica. Mostraré que las propiedades intrínsecas pueden definirse fácilmente en este nuevo contexto (no ortodoxo). Es importante destacar que demostraré también que las propiedades intrínsecas pueden identificarse con la medida de ""weak values"" y que, por lo tanto, ¡pueden medirse! Enfocado en una teoría modal particular, a saber la mecánica de Bohm, se discutirá y aplicará un simulador de transporte de electrones para abordar cuestiones metodológicas y prácticas relacionadas con la simulación del transporte cuántico de electrones. La ontología de la mecánica bohmiana permite describir de manera natural sistemas cuánticos abiertos monitoreados continuamente con una descripción precisa de los estados condicionales para los regímenes Markoviano y no-Markoviano. Esto ayuda a proporcionar un enfoque alternativo al de la matriz de densidad en la descripción de sistemas cuánticos abiertos, que escala exponencialmente con el número de grados de libertad. Por lo tanto, se mostrará que la estrategia de estado condicionales de Bohm, que ha llevado al desarrollo de un simulador de transporte de electrones BITLLES, permite, por ejemplo, calcular los tiempos de permanencia de los electrones en una barrera de grafeno de dos terminales. Se demostrará también que las trayectorias bohmianas son muy apropiadas para proporcionar una descripción inequívoca de los tiempos de tránsito (de tunel) y su relación con las frecuencias de corte en dispositivos electrónicos. Finalmente, se discutirá un protocolo que incorpora mediciones de tipo colectivo para evadir la incertidumbre de medición actual en los dispositivos electrónicos de computación clásica y cuántica.
The work presented in this thesis is dedicated to the understanding of practical and conceptual challenges in simulating dynamical properties beyond the quasi-static approximation, in solid-state quantum devices in scenarios where a full quantum mechanical treatment is necessary. The results of this thesis are particularly relevant for the computation of the fluctuations of the electric current in the THz regime which aids in determining the correlations, the evaluation of tunnelling times that define the cut-off frequency of high-frequency operated devices, or the assessment of thermodynamic work to realize quantum thermal engines.The above mentioned dynamical properties involve multi-time measurements and hence are sensitive to quantum backaction. In the context of Orthodox quantum mechanics, the definition of these dynamical properties cannot be detached from the specification of the measurement apparatus. That is, defining apparatus-independent or intrinsic dynamical properties of quantum systems is incompatible with the postulates of Orthodox quantum mechanics. All in all, a device engineer like me, working on practical problems related with the present and future solid-state devices, is forced to delve into the foundations of quantum mechanics if I really want to properly understand the high-frequency performance of solid-state devices. In this regard, I will show that the difficulties associated to the understanding of dynamical properties can be solved by looking beyond Orthodox quantum mechanics. In particular, I have explored the modal interpretation of quantum mechanics, which is a mathematically precise quantum theory that reproduces all quantum mechanical phenomena. I will show that intrinsic properties can be easily defined in this new (non-orthodox) context. Importantly, I will prove that intrinsic properties can be identified with weak values and hence that they can be measured! Focused on a particular modal theory, viz., Bohmian mechanics, an electron transport simulator will be discussed and applied to address both methodological and practical issues related to the simulation of quantum electron transport. The ontology of Bohmian mechanics naturally enables describing continuously monitored open quantum systems with a precise description of the conditional states for Markovian and non-Markovian regimes. This helps to provide an alternate to density matrix approach in the description of open quantum systems, which scales poorly computationally with the number of degrees of freedom. Thus the Bohmian conditional state strategy, which has led to the development of an electron transport simulator, BITLLES will be shown to compute the dwell times for electrons in a two-terminal graphene barrier. It will be demonstrated that Bohmian trajectories are very appropriate to provide an unambiguous description of transit (tunnelling) times and its relation to the cut-off frequencies in practical electron devices. Finally, a protocol incorporating collective-like measurements to evade the current measurement uncertainty in the classical and quantum computing electron devices will be discussed.
Vargas-Gonzalez, Lionel Ruben. "Microstructural optimization of solid-state sintered silicon carbide." Diss., Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/34691.
Повний текст джерелаTakasu, Ichiro. "The study of the coercivity mechanism of gas atomized P/M MnAlC permanent magnet." Thesis, University of Salford, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.360473.
Повний текст джерелаMiller, Christopher W. "Set-up and evaluation of laser-driven miniflyer system." Thesis, Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/28184.
Повний текст джерелаCommittee Chair: Thadhani, Naresh; Committee Member: Das, Suman; Committee Member: Fajardo, Mario; Committee Member: Zhou, Min.
Wang, Tsueh-Hua. "A study of the electroluminescence properties of a-SiC:H thin-film light emitting diodes and the recombination mechanism of a-Si:H and its alloys." Thesis, University of Sheffield, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242308.
Повний текст джерелаHong, Youlee. "Elucidation of Chain-Folding Structure and Crystallization Mechanism of Semicrystalline Polymer by Solid-State NMR." University of Akron / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=akron1430246993.
Повний текст джерелаWANG, SHIJUN. "CHAIN FOLDING AND CRYSTALLIZATION MECHANISM OF POLY(L-LACTIDE) AS INVESTIGATED BY SOLID STATE NMR." University of Akron / OhioLINK, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=akron1541091884494995.
Повний текст джерелаAsmadi, Aldi. "Crystal structure prediction : a molecular modellling study of the solid state behaviour of small organic compounds." Thesis, University of Bradford, 2010. http://hdl.handle.net/10454/4441.
Повний текст джерелаKassebaum, Paul Gregory. "The Adiabatic Bond Charge Model of Phonons." Digital WPI, 2012. https://digitalcommons.wpi.edu/etd-dissertations/180.
Повний текст джерелаLechner, Ruep Ekkehard, Goetz Schuck, and Klaus Langer. "Mechanism of proton conduction in solid-state protonic conductors: method and results from investigations by QENS techniques." Diffusion fundamentals 12 (2010) 3, 2010. https://ul.qucosa.de/id/qucosa%3A13865.
Повний текст джерелаBoulfelfel, Salah Eddine. "Atomic Scale Investigation of Pressure Induced Phase Transitions in the solid State." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2009. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-25283.
Повний текст джерелаSarkar, Sujan K. "Reaction Mechanism and Detection of Elusive C, N, and O Centered Radicals and Intermediates in Solution and Solid State." University of Cincinnati / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1448037904.
Повний текст джерелаNagy, Péter. "Formation and Decomposition of Platinum–Thallium Bond, Kinetics and Mechanism. Structural Characterization of Some Metal Cyanides in the Solid State." Doctoral thesis, KTH, Chemistry, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-3803.
Повний текст джерелаThe kinetic and mechanistic features of a new series ofplatinum-thallium cyano compounds containing a direct andunsupported by ligands metal-metal bond have been studied insolution, using standard mixandmeasurespectrophotometric technique and stoppedflow method.These reactions are interpreted as oxidative addition of the cspecies to the square planar Pt(CN)42-complex. Each of these processes was found to befirst-order in Pt(CN)42-, the corresponding TIIIIcomplex and a cyanide ion donating species whichacts as a catalyst. Both di- and trinuclear complexes werestudied, and the kinetically significant thallium complexes intheir formation and the catalytically active cyanide sourcesare as follows: [(CN)5PtTl(CN)3]3-: Tl(CN)4(alkaline region), Tl(CN)3(slightly acidic region) and CN; [(CN)5PtTl(CN)]: Tl(CN)2+and Tl(CN)2+; [(CN)5PtTlPt(CN)5]3-: [(CN)5PtTl(CN)]and HCN. Appropriatemechanisms were postulated for the overall reactions in allcases, which include i) metalmetal bond formation stepand ii) coordination of an axial cyanide ion to the platinumcenter. Two experimentally indistinguishable kinetic modelswere proposed for the formation of the dinuclear complexeswhich are different in the sequence of the two steps. In thecase of the trinuclear complex, experimental evidence isavailable to exclude one of the alternative reaction paths, andit was proven that the metalmetal bond formation precedesthe axial cyanide coordination.
The cyanide ligands coordinated to TIIIIin the PtTl complexes could be replacedsuccessfully with aminopolycarboxylates e.g.: mimda2-, nta3-, edta4-. The [(CN)5PtTl(edta)]4-complex, with a direct metalmetal bond hasbeen prepared in solution by two different reactions: a)dissolution of [(CN)5PtTl](s) in an aqueous solution of edta, b)directly from Pt(CN)42-and Tl(edta)(CN)2-. The decomposition reaction is greatlyaccelerated by cyanide and significantly inhibited by edta. Itproceeds through the [(CN)5PtTl(CN)3]3-intermediate. The formation of [(CN)5PtTl(edta)]4-can proceed via two different pathways dependingon the ratio of the cyanide to the edta ligand concentrations.Thedirect pathat excess of edta means theformation of intermediate[(CN)4Pt···Tl(CN)(edta)]4-, followed by a release of the cyanide from theTlcentre followed by coordination of a cyanide from thebulk to the Ptcentre of the intermediate. Theindirect pathdominates in the absence of extraedta and the formation of the PtTl bond occours betweenPt(CN)42-and Tl(CN)4.
Homoligand MTl(CN)4(M = TlI, K, Na) and, for the first time, Tl(CN)3species have been synthesized in the solid stateand their structures solved by single crystal Xraydiffraction method. Interesting redox processes have been foundbetween TIIIIand CNin nonaqueous solution and in Tl2O3-CNaqueous suspension. In the crystal structureof Tl(CN)3·H2O, the thallium(III) ion has a trigonal bypiramidalcoordination geometry with three cyanides in the trigonalplane, while an oxygen atom of the water molecule and anitrogen atom from a cyanide ligand attached to a neighboringthallium complex, form a linear OTlN fragment.Cyanide ligand bridges thallium units forming an infinitezigzag chain structure. Among the thallium(III) tetracyanocompounds, the isostructural M[Tl(CN)4](M = Tl and K) and Na[Tl(CN)4]·3H2O crystallize in different crystal systems, but thethallium(III) ion has in all cases the same tetrahedralgeometry in the [Tl(CN)4]unit.
Three adducts of mercury(II) (isoelectronic with TIIII) (K2PtHg(CN)6·2H2O, Na2PdHg(CN)6·2H2O and K2NiHg(CN)6·2H2O) have been prepared from Hg(CN)2and square planar transition metal cyanides MII(CN)42-and their structure have been studied by singlecrystal Xray diffraction, XPS and Raman spectroscopy inthe solid state. The structure of (K2PtHg(CN)6·2H2O consists of strictly linear one dimensional wireswith PtIIand HgIIcenters located alternately, dHgPt= 3.460 Å. The structure of Na2PdHg(CN)6·2H2O and K2NiHg(CN)6·2H2O can be considered as double salts, the lack ofheterometallophilic interaction between both the HgIIand PdIIatoms, dHgPd= 4.92 Å, and HgIIand NiIIatoms, dNiPd= 4.60 Å, seems obvious. Electronbinding energy values of the metallic centers measured by XPSshow that there is no electron transfer between the metal ionsin all three adducts. In solution, experimental findingsclearly indicate the lack of metalmetal bond formation inall studied HgIICN-MII(CN)42-systems (M = Pt, Pd and Ni). It is in contrary tothe platinumthallium bonded cyanides.
KEYWORDS:metalmetal bond, platinum, thallium,kinetics, mechanism, stopped flow, oxidative addition, cyanocomplexes, edta, redox reaction, metal cyanides, Xraydiffraction, Raman, NMR, mercury, palladium, nickel, onedimensional wire
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Повний текст джерелаXiao, Yao. "Analysis for reaction mechanism of cathode materials for lithium-sulfur batteries." Doctoral thesis, Kyoto University, 2021. http://hdl.handle.net/2433/263747.
Повний текст джерела新制・課程博士
博士(人間・環境学)
甲第23286号
人博第1001号
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 田部 勢津久, 教授 高木 紀明
学位規則第4条第1項該当
Doctor of Human and Environmental Studies
Kyoto University
DFAM
Satulovsky, Javier Eduardo. "Modelo estocástico para um sistema predador-presa." Universidade de São Paulo, 1995. http://www.teses.usp.br/teses/disponiveis/43/43133/tde-28022014-111840/.
Повний текст джерелаIn this work, we introduce and study a stochastic lattice gas model for the evolution of an interacting particle system describing two species: prey and predators. Prey undergo autocatalytic reproduction on empty sites of a lattice. Predators also reproduce autocatalytically at the expense of prey, as well as suffer spontaneous annihilations. The irreversible local rules of the model, involving two parameters, are inspired both in the Lotka-Volterra model and the contact process. In the stationary regime, the model shows three phases. The first one is associated to an absorbing state in which the lattice is completely covered by prey. The second one is characterized by finite values of the density of each species. As we tune the parameters values inside that phase, local oscillations in the population densities start to appear. The second phase is reached from the first one through a line of continuous kinetic phase transitions. The line belongs to the universality class of directed percolation in d+1 dimensions, except for its terminal point, which belongs to the universality class of ordinary percolation. The third phase corresponds to another absorbing state completely devoided of particles. The transition from the second to the third phase is continuous and also belongs to universality class of directed percolation in d+1 dimensions. The model has been studied by means of computer simulations as well as by using approximate analytical technics.
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Повний текст джерела