Search for dissertations about: "tight-binding"

Showing result 21 - 25 of 48 swedish dissertations containing the word tight-binding.

  2. 21. Computational Studies of Graphene Growth and Carbonaceous Polyethylene Nanocomposites

    Author : Shayesteh Haghighatpanah; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Carbon Nanotubes; Polyethylene; Molecular Modelling.; Graphene;

    Abstract : Graphene, the youngest allotrope of carbon, has attracted a lot of attention in different fields of science due to its unique electrical, mechanical, and optical properties. Controlling the growth of graphene is a very topical subject and critical for producing material with desired properties since the properties of graphene are highly dependent on its atomic structure and it is often desirable that the material contains very few or (if possible) no defects. READ MORE

  4. 22. Electronic and optical properties of conducting polymers from quantum mechanical computations

    Author : Amina Mirsakiyeva; Anna Delin; Igor Zozoulenko; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; density functional theory; DFT; Car-Parrinello molecular dynamics; CPMD; tigh-binding; poly 3; 4-ethylenedioxythiophene ; PEDOT; selenium; PEDOS; tellurium; PEDOTe; poly p-phenylene ; poly para-phenylene ; poly 1; 4-phenylene ; naphthobischalcogenadiazoles; Fysik; Physics;

    Abstract :     Conductive polymers are also known as "organic metals" due to their semiconducting properties. They are found in a wide range of applications in the field of organic electronics. However, the growing number of experimental works is not widely supported with theoretical calculations. READ MORE

  5. 23. Thrombin/ADP-induced platelet activation and drug intervention

    Author : Nylander Sven; Stan Heptinstall; Linköpings universitet; []
    Keywords : MEDICINE; MEDICIN;

    Abstract : Blood platelets are key players in haemostasis, the system that maintains an intact circulation. Circulating platelets are constantly on guard for vessel wall injury and will momentarily adhere to exposed subendothelial proteins, mainly collagens, at site of the injury. READ MORE

  6. 24. Ghost in the shell : Studies on subsurface oxygen in oxide-derived copper nanocube catalysts

    Author : Liu Chang; Lars Pettersson; Anders Nilsson; Tore Brinck; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; teoretisk fysik; Theoretical Physics;

    Abstract : With the passage of time and the advancement of our industrial civilization, environmental concerns have become more and more recognized since the 1990s. Carbon dioxide reduction reactions are capable of converting carbon dioxide into valuable hydrocarbons and reducing the carbon emission from the combustion of fossil fuels. READ MORE

  7. 25. Theoretical Studies of Electron Transport in Quantum Dot Structures

    Author : Carina Fasth; Fasta tillståndets fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : We calculate the phase property of the reflection coefficient in two-terminal structures using a lattice tight-binding model. It is seen that, provided that there exist two coherent reflection paths, the reflection probability can be zero for certain electron energies. READ MORE