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Showing 1 to 20 of 101 for “"transition-metal oxides"”.
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Novel Transition-Metal Oxides Under Pressure
Transition-metal oxides have been the focus of multiple experimental and theoretical research efforts because of their versatility and applicability to new technology. These characteristics mostly owe to our ability to adjust valence states and crystal fields, among others, by fine-tuning …
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Structural studies of layered transition metal oxides
A number of transition metal oxide materials, both new and previously reported, have been<br/>synthesised, their structures based on the n = 2 Ruddlesden-Popper layered perovskites. Their<br/>structures were determined through Rietveld refinement against X-ray and neutron powder<br/>diffraction, …
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Lithium intercalation reactions with transition metal oxides
An investigation of several lithium transition metal oxide systems has been undertaken with the aim of synthesising an optimised LiM0₂ compound (M = Mn, Co or Co/Ni mixtures) for application as a cathode in rechargeab1e lithium batteries. Attention has been focused on systems which show promise for …
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Electrochemical Kinetics of Cation Insertion in Transition Metal Oxides.
North Carolina State University Theses Materials Science and Engineering.
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All-electron GW calculations for perovskite transition metal oxides
… of Goldschmidt on material synthesis, perovskite transition-metal oxides (TMOs) have repeatedly stimulated new activities in fundamental research as well as in the development of new technical applications. Thus, many perovskite TMOs, for example the ferroelectrics BaTiO3 and PbTiO3, have become …
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Synthesis and catalytic application of functional transition metal oxides
… developing economic combustion catalysts such as transition metals oxides (TMOs), using an elaborated Pulsed Spray Evaporation Chemical Vapor Deposition (PSE-CVD) approach and improved understanding of their behavior. Catalysts based on TMOs were successfully synthesized by PSE-CVD. Comprehensive …
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Transition Metal Oxides for Cathode of Li-ion Battery
Layered transition metal oxides are used as cathode materials in Li-ion batteries particularly in those used in the automobile industry. With growing demands for high energy supply for practical applications, Ni -rich cathodes have become a popular option due to their high theoretical capacity; …
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Models for transition metal oxides and for protein design
… the electronic structure and total energy of transition metal oxides. We demonstrate that the LDA+U method, in which localized d electrons are treated with a Hubbard-like model, gives considerably better predictions in band gap, magnetization, lattice constants, redox potential, mixing energy …
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Impurities in Antiferromagnetic Transition-metal Oxides – Symmetry and Optical Transitions
The study of antiferromagnetic transition-metal oxides is an extremely active area in the physical sciences, where condensed matter physics, inorganic chemistry, and materials science blend together. The sheer number of potential commercial applications is staggering, but much of the fundamental …
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Investigation of structural changes in vanadium containing transition metal oxides
… diffuse x-ray scattering reveals that this transition from the 3D M1 phase to a 2D variant of the M2 phase results in long-range structural correlations along symmetry-equivalent (11L) planes of the tetragonal rutile structure, yet extremely short-range correlations transverse to these …
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Electrosynthesis and characterization of main group and transition metal oxides
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1994.
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Theoretical studies of structural and electronic properties in transition metal oxides
… inelastic x-ray scattering (RIXS) spectrum for transition metal oxides is presented first, by extending the previous existing result to include explicit momentum dependence and a basis with multiple core-hole sites. This formula is applied to layered charge, orbital and spin ordered manganites, …
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The Study of Transition Metal Oxides using Dynamical Mean Field Theory
… thesis, we study strong electron correlation in transition metal oxides. In the systems with large Coulomb interaction, especially the on-site interaction, electrons are much more correlated and cannot be described using traditional one-electron picture, thus the name "strongly correlated …
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Synthesis and characterization of new layered main group-transition metal oxides
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1994.
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Synthesis of CMR manganites and ordering phenomena in complex transition metal oxides
… in La7/8Sr1/8MnO3 and La1Sr2Mn2O7 at the transition metal LII, III-edges and the rare earth MIV, V-edges. Two new devices have been developed: one is the rotating specimen holder for laboratory x-ray powder diffraction, which not only can effectively minimize the problem of preferred …
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Ultrafast Response of Photoexcited Carriers in Transition Metal Oxides under High Pressure
… investigation of pressure-induced insulator-to-metal transitions in transition metal oxide compounds. The materials under study are α-Fe₂O₃, also known as hematite, and VO₂. Both materials undergo pressure-induced metallization. However, the physical mechanisms of this phase transition are very …
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X-Ray Scattering Studies of Charge and Orbital Ordering in Transition Metal Oxides
… of charge ordering and orbital ordering in transition metal oxides, using the technique of resonant x-ray diffraction (RXD). The technique is suited to such studies, as it provides an elemental and band specific probe of long range electronic correlations. Here, we present hard and soft …
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Experimental Adsorption and Reaction Studies on Transition Metal Oxides Compared to DFT Simulations
A temperature-programmed desorption (TPD) study of CO and NH₃ adsorption on MnO(100) with complimentary density functional theory (DFT) simulations was conducted. TPD reveals a primary CO desorption signal at 130 K from MnO(100) in the low coverage limit giving an adsorption energy of -35.6 ±2.1 …
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