Essays about: "Kvantkemi"

Found 3 essays containing the word Kvantkemi.

  1. 1. A Quantum Chemical Investigation of Chemical Vapour Deposition of Fe using Ferrocene and Plasma Electrons

    University essay from Linköpings universitet/Kemi

    Author : Felicia Andersson; [2023]
    Keywords : Quantum chemistry; Ferrocene; Silver; Ag 111 ; Plasma electrons; Surface chemistry; Electronic structure; DFT; Kvantkemi; Ferrocen; Silver; Ag 111 ; Plasmaelektroner; Ytkemi; Elektronstruktur; DFT;

    Abstract : Thin films provide a remarkable asset, as depositing a thin surface layer can completely alter a material’s characteristics and provide new, inexpensive, and valuable properties. In 2020, a new Chemical Vapour Deposition (CVD) approach was developed at Linköping University, using plasma electrons as reducing agents for the deposition of metallic thin films. READ MORE

  3. 2. Cost Efficient Interpolation of Potential Energy Surfaces for Quantum Dynamics

    University essay from KTH/Matematik (Avd.)

    Author : Albin Persson; [2021]
    Keywords : ;

    Abstract : In calculating potential energy surfaces (PES) in quantum chemistry interpolation methods are sometimes used to get a sufficiently approximated surface. Kowalewski, Larsson and Heryudono (J Chem Phys, 148(8):084104) has developed an adaptive interpolation method to approximate a PES by polyharmonic splines interpolation. READ MORE

  4. 3. Simulations of a Ruthenium Complex and the Iodide/Triiodide Redox Couple in Aqueous Solution: Solvation and Electronic Structure

    University essay from Institutionen för fysik och astronomi

    Author : Ida Josefsson; [2010]
    Keywords : Dye-sensitized solar cells; molecular modeling; quantum chemistry; molecular dynamics; photoelectron spectroscopy; Färgämnessensiterade solceller; molekylmodellering; kvantkemi; molekyldynamik; fotoelektronspektroskopi;

    Abstract : In dye-sensitized solar cells, the functions of light absorption and charge transport are separated. A photosensitive ruthenium-polypyridine dye in the cell absorbs light, injects an electron to a semiconductor and is then regenerated by a redox couple, typically iodide/triiodide. READ MORE