Sökning: "polarons"

Visar resultat 6 - 10 av 15 avhandlingar innehållade ordet polarons.

1. 6. Determination of the Polaron Density in Chemically Doped Conjugated Polymers

   Författare :Emmy Järsvall; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; organic semiconductors; chemical doping; spectroscopy; molecular dopants polaron density; conjugated polymers; double doping;

   Sammanfattning : Semiconductors have become indispensable in modern electronics, playing vital roles across diverse devices such as computers, mobile phones, and solar cells. While inorganic semiconductors, such as silicon, currently dominates the industry, organic semiconductors offer promising alternatives. LÄS MER

3. 7. Efficiency of molecular doping of conjugated polymers

   Författare :Emmy Järsvall; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : In recent years, organic semiconductors have become known as a promising alternative to traditional inorganic materials. Conjugated polymers are one of the most studied classes of organic semiconductors. Molecular doping is a powerful tool to tune their optical, electronic and –possibly– even the mechanical properties. LÄS MER

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

   Författare :Amina Mirsakiyeva; Anna Delin; Igor Zozoulenko; KTH; []
   Nyckelord :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;

   Sammanfattning :     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. LÄS MER

5. 9. Energy Storage Materials: Insights From ab Initio Theory : Diffusion, Structure, Thermodynamics and Design

   Författare :Rafael Barros Neves de Araújo; Rajeev Ahuja; Graeme Henkelman; Uppsala universitet; []
   Nyckelord :Density Functional Theory; Defects Diffusion; Thermodynamics and Batteries.;

   Sammanfattning : The development of science and technology have provided a lifestyle completely dependent on energy consumption. Devices such as computers and mobile phones are good examples of how our daily life depends on electric energy. LÄS MER

7. 10. Heavy-Core Staffanes : A Computational Study of Their Fundamental Properties of Interest for Molecular Electronics

   Författare :Niclas Sandström; Henrik Ottosson; Leif Hammarström; Bo Albinsson; Uppsala universitet; []
   Nyckelord :Organic chemistry; conjugation; polarizability; Group 14 elements; cage compounds; electronic excitations; quantum chemistry; molecular electronics; Organisk kemi;

   Sammanfattning : The basic building blocks in molecular electronics often correspond to conjugated molecules. A compound class consisting of rigid rod-like staffane molecules with the heavier Group 14 elements Si, Ge, Sn and Pb at their bridgehead positions has now been investigated. LÄS MER