Search for dissertations about: "vibrational dynamics"

Showing result 1 - 5 of 121 swedish dissertations containing the words vibrational dynamics.

  2. 1. Dynamics in Ceria and Related Materials from Molecular Dynamics and Lattice Dynamics

    Author : Anders Gotte; Kersti Hermansson; Micael Baudin; Anatoly Belonoshko; Uppsala universitet; []
    Keywords : Inorganic chemistry; molecular dynamics; diffusion; surface dynamics; ionic surfaces; Oorganisk kemi;

    Abstract : In discussions of heterogeneous catalysis and other surface-related phenomena, the dynamical properties of the catalytic material are often neglected, even at elevated temperatures. An example is the three-way catalyst (TWC), used for treatment of exhaust gases from combustion engines operating at several hundred degrees Celsius. READ MORE

  4. 2. Ultrafast Photo-induced Reaction Dynamics of Small Molecules

    Author : Malin Kadi; Jan Davidsson; Eva Åkesson; Sören Keiding; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physical chemistry; pump-probe spectroscopy; reaction dynamics; photodissociation; aryl halides; spin-orbit coupling; ab initio calculations; molecular dynamics; vibrational wavepackets; Fysikalisk kemi; Physical chemistry; Fysikalisk kemi;

    Abstract : The main focus of this thesis is the investigation of the dissociation dynamics of aryl halides using femtosecond pump-probe spectroscopy. In the monohalogenated aryl halides, iodo-, bromo- and chlorobenzene, the rate of dissociation following excitation at 266 nm in the gas phase increased with increasing mass of the halogen atom. READ MORE

  5. 3. Vibrational proton dynamics in hydrated perovskites and alkali thio-hydroxogermanates

    Author : Maths Karlsson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; fuel cell; proton conduction; perovskites; proton dynamics; thio-hydroxogermanates; vibrational spectroscopy;

    Abstract : .... READ MORE

  6. 4. Local structure and dynamics of proton and hydride-ion conducting perovskite type oxides

    Author : Laura Mazzei; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; hydrogen; local coordination; vibrational dynamics; neutron scattering; vibrational spectroscopy; thin films; Perovskite oxides;

    Abstract : Proton and hydride-ion conducting oxides show potential for application in several technological devices, such as solid oxide fuel cells and batteries. However, fundamental properties pertaining to the local structure and conduction mechanisms in these materials are unclear. READ MORE

  7. 5. Electron-Lattice Dynamics in pi-Conjugated Systems

    Author : Magnus Hultell (Andersson); Sven Stafström; Alexander Onipko; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Polaron dynamics; Exciton dynamics; pi-conjugated systems; Su-Schrieffer-Heeger SSH model; Adiabaticity; Charge carrier transport; Organic electronics.; Computational physics; Beräkningsfysik;

    Abstract : In this thesis we explore in particular the dynamics of a special type of quasi-particle in pi-conjugated materials termed polaron, the origin of which is intimately related to the strong interactions between the electronic and the vibrational degrees of freedom within these systems. In order to conduct such studies with the particular focus of each appended paper, we simultaneously solve the time-dependent Schrödinger equation and the lattice equation of motion with a three-dimensional extension of the famous Su-Schrieffer-Heeger (SSH) model Hamiltonian. READ MORE