Search for dissertations about: "Amina Mirsakiyeva"

Found 2 swedish dissertations containing the words Amina Mirsakiyeva.

  2. 1. 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

  4. 2. Quantum Mechanical Calculations of Thermoelectrical Polymers and Organic Molecules

    Author : Amina Mirsakiyeva; Anna Delin; Clas Persson; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Quantum molecular dynamics; Car-Parrinello molecular dynamics; PEDOT; poly 3; 4-ethylenedioxythiophene ; Fysik; Physics;

    Abstract : The subject of the present licentiate thesis is density functional theorybased electronic structure calculations of organic thermoelectric materials and novel organic molecules. We used the Car-Parrinello molecular dynamics method in order to investigate the electronic structure of “green energy” and “greenchemistry” compounds. READ MORE