Sökning: "ADSORBED MOLECULE"

Visar resultat 21 - 25 av 76 avhandlingar innehållade orden ADSORBED MOLECULE.

  1. 21. Resonant Interactions Between Nanoparticle Plasmons and Molecular Excitons

    Författare :Gülis Zengin; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; surface-enhanced absorption; J-aggregates; Localized surface plasmon resonance; strong coupling; Rhodamine 6G; nanoparticles;

    Sammanfattning : Molecular plasmonics involves the study and applications of plasmonic metal nanostructures interacting with molecules. It has been a basis for development of fundamental understandings of light-matter interactions as well as of new technologies, including biological and chemical sensors and plasmon-enhanced spectroscopies. LÄS MER

  3. 22. Theoretical Studies on the Molecular Mechanisms of Photo-Catalytic Reactions on TiO2 Surfaces

    Författare :Yongfei Ji; Yi Luo; Annabella Selloni; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TiO2; First-principles; photocatalysis; Kemi; Chemistry;

    Sammanfattning : Photocatalysis is a promising technology that can effectively convert the solar energyinto sustainable green energy. However, theoretical studies on the molecular mechanisms of photocatalytic reactions are rare. LÄS MER

  4. 23. Theoretical Characterization of Optical Processes in Modecular Complexes

    Författare :Kai Liu; Yi Luo; Benoît CHAMPAGNE; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; one-photon absorption; two-photon absorption; surface-enhanced Raman scattering; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : The main theme of this thesis is to study effects of different environments on geometric and electronic structures, as well as optical responses, of molecules using time-(in)dependent density functional theory. Theoretical calculations have been carried out for properties that can be measured by conventional and advanced experimental techniques, including one-photon absorption (OPA), two-photon absorption (TPA), surface-enhanced Raman scattering (SERS) and second order nonlinear optical (NLO) response. LÄS MER

  5. 24. Physisorption of CO and N2O on ceria surfaces

    Författare :Carsten Müller; Kersti Hermansson; Konstantin Neyman; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; ceria; carbon monoxide; nitrous oxide; embedded cluster; physisorption; method of increments; CCSD T ; vibrational frequencies; Quantum chemistry; Kvantkemi; Quantum Chemistry; kvantkemi;

    Sammanfattning : Physisorption of CO and N2O on surfaces of ceria (CeO2) was investigated by means of high-level quantum-mechanical embedded cluster calculations. Both systems have high relevance in the field of environmental chemistry and heterogeneous catalysis. LÄS MER

  7. 25. Electronic and Geometric Structure of Phthalocyanines on Metals

    Författare :Masumeh-Nina Shariati; Maria Novella Piancastelli; Carla Puglia; Kajsa Uvdal; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; monolayer; multilayer; metal-free phthalocyanine; metal phthalocyanine; interaction; intermolecular; adsorbate-substrate; XPS; XAS; STM; DFT; alkali; metallization;

    Sammanfattning : Adsorption of monolayers and multilayers of metal-free and metal phthalocyanines molecules on metal surfaces has been investigated using complementary microscopic and synchrotron-based spectroscopic techniques. It was observed by STM measurements that at monolayer coverage the adsorption direction of the metal-free phthalocyanine molecules with respect to the gold surface vary as a function of temperature, i. LÄS MER