Sökning: "Molecular surface structure"

Visar resultat 21 - 25 av 548 avhandlingar innehållade orden Molecular surface structure.

1. 21. Structure of Small Icosahedral Viruses

   Författare :Pavel Plevka; Lars Liljas; Kaspars Tars; Michael Chapman; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Cell and molecular biology; Cell- och molekylärbiologi; biologi; med inriktning mot strukturbiologi; Biology; with specialization in structural biology;

   Sammanfattning : This thesis presents structural studies on the plant virus Ryegrass mottle virus (RGMoV), the bacteriophage φCb5, and the icosahedral particles and octahedral crystal assembly of a bacteriophage MS2 coat protein mutant. In contrast to other sobemoviruses, the RGMoV coat protein is missing several residues in two of the loop regions important for capsid assembly. LÄS MER

3. 22. Titania Nanoscale Films and Surfaces : Surface Science Investigation of Structure and Properties

   Författare :Davide Ragazzon; Anders Sandell; Anne Borg; Jason F. Weaver; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Photoelectron spectroscopy; PES; XPS; scanning tunneling microscopy; STM; titania; titanium oxide; TiO2; Au 111 ; gold; water; H2O; rutile;

   Sammanfattning : This thesis presents surface science studies, investigating several aspects of titanium dioxide at the atomic scale. The greater part of this work is devoted to the preparation by chemical vapor deposition (CVD) of titanium(IV) tetraisopropoxide (TTIP) of ultrathin TiO2 or TiOx films on Au(111). LÄS MER

4. 23. Combined Molecular Dynamics and Embedded-Cluster Calculations in Metal Oxide Surface Chemistry

   Författare :Björn Herschend; Kersti Hermansson; Micael Baudin; Joachim Sauer; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Inorganic chemistry; embedded-cluster; ab initio; molecular dynamics; metal oxide; ceria; magnesium oxide; adsorption; surface defect; Oorganisk kemi; Inorganic chemistry; Oorganisk kemi;

   Sammanfattning : The development and improvement of the functionality of metal oxides in heterogeneous catalysis and other surface chemical processes can greatly benefit from an atomic-level understanding of the surface chemistry. Atomistic calculations such as quantum mechanical (QM) calculations and molecular dynamics (MD) simulations can provide highly detailed information about the atomic and electronic structure, and constitute valuable complements to experimental surface science techniques. LÄS MER

5. 24. Scanning Tunnelling Microscopy and Spectroscopy of Adsorbates on Aluminium and Silicon

   Författare :Mikael Johansson; Synkrotronljusfysik; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Alkali metals; Scanning tunnelling spectroscopies; Scanning tunnelling microscopy; Photoelectron Spectroscopy; Single crystal surface; Silicon; Surface structure; Aluminium; Silicides; Fullerenes.; Physics; Fysik; Fysicumarkivet A:1997:Johansson;

   Sammanfattning : The main topic of this thesis is the investigation of atomic andmolecular adsorbates on single crystal surfaces of silicon and aluminiumusing the techniques of scanning tunnelling microscopy (STM) andspectroscopy (STS). The emphasis has been to use atomic-resolutionspectroscopy and imaging to determine the relationship between thesurfaces' geometric and electronic structures. LÄS MER

7. 25. Computational Insights on Functional Materials for Clean Energy Storage : Modeling, Structure and Thermodynamics

   Författare :Tanveer Hussain; Rajeev Ahuja; Caetano R. Miranda; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Molecular dynamics; Hydrogen storage; Chemisorption; Physisorption; Functionalization; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

   Sammanfattning : The exponential increase in the demands of world’s energy and the devastating effects of current fossil fuels based sources has forced us to reduce our dependence on the current sources as well as finding cleaner, cheaper and renewable alternates. Being abundant, efficient and renewable, hydrogen can be opted as the best possible replacement of the diminishing and harmful fossil fuels. LÄS MER