Search for dissertations about: "molybdenum sulfide cluster"

Found 2 swedish dissertations containing the words molybdenum sulfide cluster.

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

    University dissertation from ; Chalmers tekniska högskola; Gothenburg

    Author : Adam Arvidsson; [2019]
    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

  2. 2. Partial methane oxidation from electronic structure calculations

    University dissertation from ; Chalmers tekniska högskola; Gothenburg

    Author : Adam Arvidsson; [2017]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; ZSM-5 zeolite; density functional theory; microkinetic modelling; Mo6S8 cluster; partial methane oxidation;

    Abstract : Investigating catalytic reactions with computational methods is a powerful approach to understand fundamental aspects of catalytic reactions and find ways to guide catalytic design. Partial methane oxidation is one example of a reaction with intriguing challenges, where a detailed atomistic approach may help to unravel the bottlenecks of this, as of yet, inefficient reaction. READ MORE