Sökning: "Beräkningsfysik"

Visar resultat 16 - 20 av 30 avhandlingar innehållade ordet Beräkningsfysik.

1. 16. Luminescence properties of flexible conjugated dyes

   Författare :Jonas Sjöqvist; Patrick Norman; Mikael Lindgren; Jacob Kongsted; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; force field; molecular dynamics; linear absorption; QM MM; absorption spectrum; emission spectrum; water solvation; stokes shift;

   Sammanfattning : In this licentiate thesis the luminescence properties of two flexible conjugated dyes have been studied. The first, Pt1, is a platinum(II) acetylide chromophore used in optical power limiting materials. LÄS MER

3. 17. Modelling Charge Transport for Organic Solar Cells within Marcus Theory

   Författare :Riccardo Volpi; Mathieu Linares; David Huang; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : With the technological advancement of modern society, electronic devices are getting progressively more integrated in our everyday lives. Their continuouslygrowing presence is generating numerous concerns about costs, efficiency and the environmental impact of the electronic waste. LÄS MER

4. 18. Effects of disorder in metallic systems from First-Principles calculations

   Författare :Christian Asker; Igor Abrikosov; Jörg Neugebauer; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Iron; Nickel; Magnesium; Manganese; Molybdenum; Zirconium; Elastic Constants; High pressure; Earth s core; Density-functional theory; Ab-initio; First-Principles; Core-level shifts; Molecular Dynamics; Phonons; Dynamical Instability; Condensed matter physics; Kondenserade materiens fysik; Computational physics; Beräkningsfysik;

   Sammanfattning : In this thesis, quantum-mechanical calculations within density-functional theory on metallic systems are presented. The overarching goal has been to investigate effects of disorder. In particular, one of the properties investigated is the bindingenergy shifts for core electrons in binary alloys using different theoretical methods. LÄS MER

5. 19. In pursuit of next generation photovoltaics : An electronic structure study of emerging solar cell materials

   Författare :Axel Erbing; Michael Odelius; David Scanlon; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Solar cells; computational physics; density functional theory; electronic structure; molecular dynamics; Solceller; beräkningsfysik; täthetsfunktionalteori; elektronstruktur; molekyldynamik; Theoretical Physics; teoretisk fysik;

   Sammanfattning : The development of a new generation of photovoltaic technologies is an important task in order to increase the production of clean energy. Perovskite solar cells, with an exceptionally rapid development over the last decade, have transformed into perhaps the most promising candidate to provide a low-cost alternative to conventional cells. LÄS MER

7. 20. Quantum transport and spin effects in lateral semiconductor nanostructures and graphene

   Författare :Martin Evaldsson; Igor Zozoulenko; Vidar Gudmundsson; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Electronic transport; Spin related phenomena; Quantum dots; Quantum wires; Two-dimensional electron gas; 2DEG; Graphene; Computational physics; Beräkningsfysik; Physics; Fysik;

   Sammanfattning : This thesis studies electron spin phenomena in lateral semi-conductor quantum dots/anti-dots and electron conductance in graphene nanoribbons by numerical modelling. In paper I we have investigated spin-dependent transport through open quantum dots, i.e., dots strongly coupled to their leads, within the Hubbard model. LÄS MER