Search for dissertations about: "Ir water oxidation"

Showing result 1 - 5 of 21 swedish dissertations containing the words Ir water oxidation.

  2. 1. Mechanistic Insights into Transition Metal Oxide Catalyzed Water Oxidation

    Author : Michael Busch; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; water oxidation; density functional theory; electrochemistry; water splitting; catalysis; water oxidation;

    Abstract : A binuclear mechanism was proposed and evaluated by means of Density Functional Theory calculations. The central reaction steps were found to be the oxidation of the transition metal TM-OH moieties to TM=O and the subsequent intramolecular O-O bond formation between two TM=O groups. READ MORE

  4. 2. Theoretical Studies on Artificial Water Splitting-Water Oxidation and Proton Transfer

    Author : Ying Wang; Hans Ågren; James Gardner; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : The present thesis is concerned with the theoretical studies on artificial water splitting process. As the quick development of research on utilizing of solar energy, which is a green, clean, and renewable energy source, many research groups focus their attention on artificial photo-synthesis systems inspired by the photosystem I and II. READ MORE

  5. 3. Theoretical Studies on Water Oxidation Catalysts - from Solvent to Interfaces

    Author : Shaoqi Zhan; Mårten Ahlquist; Núria López; KTH; []
    Keywords : Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Abstract : Water splitting contains two half-reactions, the water oxidation reaction and the hydrogen reduction reaction. In water oxidation, protons and electrons will be generated to offer two elemental components for production of fuels, such as H2 and CH3OH. READ MORE

  6. 4. Partial methane oxidation: insights from first principles and micro-kinetics calculations

    Author : Adam Arvidsson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; zeolite acidity; zeolites; density functional theory; microkinetic modelling; molybdenum sulfide cluster; partial methane oxidation;

    Abstract : Partial methane oxidation is a much-desired reaction with some intriguing challenges. Not only is there a need to activate methane and oxygen, but there is also a need to control the selectivity and prevent over-oxidation to thermodynamically more stable products, like carbon dioxide and water. READ MORE

  7. 5. Iron, Manganese and Iridium Complexes From Models of RNR and Catalase to Water Oxidation

    Author : Michele Bedin; Anders Dr. Thapper; Sascha Prof. Ott; Vadim G. Kessler; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Iron; manganese; MnCAT; RNR; biomimetic; Kemi; Chemistry;

    Abstract : The focus of this thesis has been synthesise and study metal complexes that mimic the structure and function of the active site in two particular metalloenzymes, ribonucleotide reductase (RNR) and manganese catalase (MnCAT). These two metalloenzymes both have two transition metals ions in the cofactor: two manganese ions in MnCAT and either two iron, iron-manganese or two manganese ions in RNR. READ MORE