Search for dissertations about: "hydrogen diffusion"
Showing result 1 - 5 of 123 swedish dissertations containing the words hydrogen diffusion.
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1. Hydrogen in nano-sized metals : Diffusion and hysteresis effects
Abstract : Metal hydrides can be used as hydrogen storage materials for fuel cells and batteries, and as sensors for detecting hydrogen gas. The use of metal hydrides for hydrogen storage can be hindered by poor kinetics and low capacity. Moreover, poor sensitivity, long recovery and response time, limit the applications of metal hydrides as hydrogen sensors. READ MORE
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2. Theory of Hydrogen Quantum Diffusion
Abstract : Atomic hydrogen adsorbed on a metal surface is one of the simplest possible examples of chemisorption, yet it is very challenging. The adsorption and the very elementary process of surface diffusion, a single atomic jump, have been investigated theoretically using several methods. READ MORE
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3. Insights into Materials Properties from Ab Initio Theory : Diffusion, Adsorption, Catalysis & Structure
Abstract : In this thesis, density functional theory (DFT) calculations and DFT based ab initio molecular dynamics simulations have been employed in order to gain insights into materials properties like diffusion, adsorption, catalysis, and structure. In transition metals, absorbed hydrogen atoms self-trap due to localization of metal d-electrons. READ MORE
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4. Transition state theory from path-integrals, application to hydrogen diffusion on Ni(100)
Abstract : .... READ MORE
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5. Metal Hydrogen Interaction and Structural Characterization of Amorphous Materials from first principles
Abstract : In this thesis, first-principles calculations based on density functional theory have been employed to investigate metal hydrogen interaction in transition, p-block and rare earth metals. Furthermore, the accuracy of the stochastic quenching method was tested in describing the structure of amorphous Fe(1-x)Zrx. READ MORE