Search for dissertations about: "Cation ordering"
Showing result 1 - 5 of 17 swedish dissertations containing the words Cation ordering.
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1. The Electrochemistry of LiNi0.5-xMn1.5+xO4-δ in Li-ion Batteries : Structure, Side-reactions and Cross-talk
Abstract : The use of Li-ion batteries in portable electronic products is today widespread and on-going research is extensively dedicated to improve their performance and energy density for use in electric vehicles. The largest contribution to the overall cell weight comes from the positive electrode material, and improvements regarding this component thereby render a high potential for the development of these types of batteries. READ MORE
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2. Ion Solvation in Critical Binary Aqueous Solvents Probed by Advanced Synchrotron-Based Techniques
Abstract : The Poisson-Boltzmann equation is the standard tool for studying the electrostatic interactions in electrolyte solutions, although it neglects e.g. the ion size and ion-ion correlations. Even experimentally observed specific ion effects cannot be explained in a view of this approximation. READ MORE
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3. Modelling Chemical Reactions : Theoretical Investigations of Organic Rearrangement Reactions
Abstract : Chemical reactions are ubiquitous and very important for life and many other processes taking place on earth. In both theoretical and experimental studies of reactivity a transition state is often used to rationalise the outcome of such studies. READ MORE
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4. Configurational Thermodynamics of the CeO2-Gd2O3 System : A Combined DFT, Cluster Expansion and Monte Carlo Approach to Bulk and Interfaces
Abstract : In this thesis, we study the configurational thermodynamics of Ce1-xGdxO2-x/2 x ≤ 1 or CGO. We apply a combined Density Functional Theory (DFT), cluster expansion and Monte Carlo (MC) approach in which the configurational energy of CGO is described by means of the Ising-type Hamiltonian. READ MORE
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5. Defect Induced Room-Temperature Ferromagnetism in ZnO and MgO Thin FIlms and Device Development
Abstract : This thesis presents the discovery of defect induced room-temperature ferromagnetism in industrially important ZnO and MgO thin films, and establishes from a systematic study, in both ZnO and MgO films, the unique phenomenon of the sequences of transitions from ferromagnetism to para-, and eventually the well known diamagnetism of the bulk as a function of film thickness. Highly oriented and high quality dense thin films of ZnO and MgO have been deposited by reactive (balanced) magnetron sputtering under different ambience conditions and deposition temperatures. READ MORE