Joakim Brorsson
I am involved in a project aimed at finding suitable materials, in the form of metal oxides, that can be used as oxygen carriers in chemical looping combustion, which also involves researchers from the Environmental Inorganic Chemistry and Energy Technology divisions. My primary role is, more specifically, to identify promising candidates among the compounds found in various ab initio databases. This will be followed by a more in depth investigations, using a combination of computational modelling and experiments, to which I will also contribute.
Showing 15 publications
Thermodynamic properties for metal oxides from first-principles
Discovery of Oxygen Carriers by Mining a First-Principle Database
Strategic Optimization of the Electronic Transport Properties of Pseudo-Ternary Clathrates
First-Principles Study of Order-Disorder Transitions in Pseudobinary Clathrates
Investigating the Chemical Ordering in Quaternary Clathrate Ba₈AlₓGa₁₆₋ₓGe₃₀
Unlocking the potential of a caged star: Thermoelectric quaternary clathrates
Order-Disorder Transition in Inorganic Clathrates Controls Electrical Transport Properties
Computational assessment of the efficacy of halides as shape-directing agents in nanoparticle growth
Thermal conductivity in intermetallic clathrates: A first-principles perspective
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