Sökning: "Quantum mechanical effects"

Visar resultat 31 - 35 av 67 avhandlingar innehållade orden Quantum mechanical effects.

  1. 31. There's Plenty of Room in Higher Dimensions - Nonlinear Dynamics of Nanoelectromechanical Systems

    Författare :Martin Eriksson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; nonresonant actuation; quantum dots; NEMS; internal resonance; superconductivity; nonlinear dynamics;

    Sammanfattning : Nanoelectromechanical systems (NEMS) couple the dynamics of electrons to vibrating nanostructures such as suspended beams or membranes. These resonators can be used in for instance nanoelectronics and sensor applications. NEMS are also of fundamental interest since electrons exhibit strong quantum effects when confined in nanoobjects. LÄS MER

  3. 32. Biomimetic Transition Metal Catalysts : Insights from Theoretical Modeling

    Författare :Adam Johannes Johansson; Per E. M. Siegbahn; Margareta R. A. Blomberg; Per-Ola Norrby; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Catalysis; biomimetic; copper; non-heme iron; heme iron; O2 cleavage; H-atom transfer; radical chemistry; redox chemistry; thermo chemistry; entropy calculations; quantum chemistry; spin states; density functional theory DFT ; self-interaction error SIE .; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

    Sammanfattning : The scientific interest in the chemistry of synthetic transition metal complexes is motivated by at least two arguments:1.These can be regarded as models of biological transition metal complexes, e.g. metalloenzymes, whose functions can be difficult to reveal in detail due to their complexity. LÄS MER

  4. 33. Light interactions in flexible conjugated dyes

    Författare :Jonas Sjöqvist; Patrick Norman; Per-Olof Åstrand; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; force field; molecular dynamics; QM MM; solvation effects; absorption spectroscopy; fluorescence spectrosocopy; infrared spectroscopy; Raman spectroscopy; stokes shift; conjugated polyelectrolytes;

    Sammanfattning : In this thesis methodological developments have been made for the description of flexible conjugated dyes in room temperature spectrum calculations.The methods in question target increased accuracy and efficiency by combining classical molecular dynamics (MD) simulations with time-dependent response theory spectrum calculations. LÄS MER

  5. 34. First-principles studies of kinetic effects in energy-related materials

    Författare :Johan O. Nilsson; Natalia Skorodumova; Aatto Laaksonen; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Materials Science and Engineering; Teknisk materialvetenskap;

    Sammanfattning : Quantum mechanical calculations based on first-principles (lat. ab initio) methods have over the past decades proved very successful for the study of many materials properties. LÄS MER

  7. 35. Electronic structure and optical properties of InGaAs and InAsP semiconductor quantum wires

    Författare :Johan Hammersberg; Jörn M. Hvam; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : In recent years intensive studies of semiconductor nanostructures or so-called semiconductor quantum structures have been performed in many research groups around the world. The research interest in quantum structures arises both from their potential to expose new physical phenomena in condensed matter physics, allied with fundamental quantum mechanical effects, and from their potential application in electronic and optoelectronic devices. LÄS MER