Sökning: "Hydrogen atoms"

Visar resultat 21 - 25 av 152 avhandlingar innehållade orden Hydrogen atoms.

1. 21. Hydrogen diffusion and ion implantation in silicon carbide

   Författare :Martin Janson; KTH; []
   Nyckelord :heat abd tgernidtbanucs; electronics and electrical; materials science;

   Sammanfattning : Secondary ion mass spectrometry (SIMS) has been employed tostudy the spatial distributions resulting from mass transportby diffusion and ion implantation in single crystal siliconcarbide (SiC). By a systematic analysis of this data,fundamental processes that govern these phenomena have beenderived. LÄS MER

3. 22. Atomic Scale Modelling in Photoelectrocatalysis : Towards the Development of Efficient Materials for Solar Fuel Production

   Författare :Giane B. Damas; Carlos Moyses Araujo; Rajeev Ahuja; Clas Persson; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Photocatalytic hydrogen production; polymeric materials; donor-acceptor architecture; small molecules; density functional theory; hydrogen binding free energies; exciton binding energies; electrocatalysis; carbon dioxide conversion; formic acid production; Sn-based electrodes; Tin oxides; Ru-complexes; Metal Organic Frameworks; carbon dioxide capture.;

   Sammanfattning : Using sunlight to produce valuable chemicals has been pointed out as an interesting alternative to deal with the well-known environmental problem related to the use of fossil fuels for energy generation. Thus, it is crucial for this field the development of novel photocatalysts that could drive the uphill reactions with high efficiency while presenting low price and toxicity. LÄS MER

4. 23. Structural Basis for Hydrogen Interaction in Selected Metal Hydrides

   Författare :Jonas Ångström; Martin Sahlberg; Yvonne Andersson; Björgvin Hjörvarsson; Fermin Cuevas; Uppsala universitet; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : Metal hydrides have existing and potential uses in many applications such as in batteries, for hydrogen storage and for heat storage. New metal hydrides and a better understanding of the behaviour of known metal hydrides may prove crucial in the realisation or further development of these applications. LÄS MER

5. 24. Mechanistic aspects of structure and dynamics in perovskite type oxyhydrides and alkali silanides

   Författare :Carin Österberg; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; inelastic neutron scattering; hydrogen dynamics; mean square displacement; quasielastic neutron scattering; localized motion; oxyhydride; energy materials;

   Sammanfattning : This Thesis concerns experimental studies of the two alkali silanides ASiH3 (A = K and Rb) and the recently discovered perovskite type oxyhydrides BaTiO3-xHx (x = 0.14 and 0.40). LÄS MER

7. 25. Modeling DNA Damage

   Författare :Patric Schyman; Aatto Laaksonen; Sason Shaik; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DNA; Ionizing radiation; DNA radicals; Strand break; Hydrogen abstraction; Density Functional Theory; Car-Parrinello Molecular Dynamics; QM MM; Physical chemistry; Fysikalisk kemi; Physical Chemistry; fysikalisk kemi;

   Sammanfattning : In this thesis methods of computational chemistry have been used to examine DNA damaging processes initiated by ionizing radiation, free radicals, or Low-Energy Electrons (LEE). The computational chemistry method based on quantum mechanics that has been mainly used here is the Density Functional Theory (DFT). LÄS MER