Search for dissertations about: "Pornjuk Srepusharawoot"

Found 1 swedish dissertation containing the words Pornjuk Srepusharawoot.

2. 1. Computational Studies of Hydrogen Storage Materials : Physisorbed and Chemisorbed  Systems

   Author : Pornjuk Srepusharawoot; Rajeev Ahuja; Puru Jena; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Ab initio molecular dynamics; Ab initio random structure searching; Hydrogen storage materials; Alkaline earth dicarbide; Condensed matter physics; Kondenserade materiens fysik; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

   Abstract : This thesis deals with first-principles calculations based on density functional theory to investigate hydrogen storage related properties in various high-surface area materials and the ground state crystal structures in alkaline earth dicarbide systems. High-surface area materials have been shown to be very promising for hydrogen storage applications owing to them containing numerous hydrogen adsorption sites and good kinetics for adsorption/desorption. READ MORE