Joakim Brorsson

Postdoc at Chemical Physics

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.

Source: chalmers.se
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Showing 18 publications

2024

Thermodynamic properties for metal oxides from first-principles

Joakim Brorsson, Ivana Stanicic, Jonatan Gastaldi et al
Computational Materials Science. Vol. 233
Journal article
2024

Thermodynamic analysis on the fate of ash elements in chemical looping combustion of solid fuels – Manganese-Based oxygen carriers

Ivana Stanicic, Joakim Brorsson, Anders Hellman et al
Fuel. Vol. 369
Journal article
2024

Use of a high-entropy oxide as an oxygen carrier for chemical looping

Inaki Adanez-Rubio, María Teresa Izquierdo, Joakim Brorsson et al
Energy. Vol. 298
Journal article
2024

Thermodynamic Modeling and Experimental Investigation of the System Fe-Ti-O-K for Ilmenite Used as Fluidized Bed Oxygen Carrier

Robin Faust, Ivana Stanicic, Jonatan Gastaldi et al
Energy & Fuels. Vol. 38 (15), p. 14569-14576
Journal article
2023

Discovery of Oxygen Carriers by Mining a First-Principle Database

Joakim Brorsson, Viktor Rehnberg, Adam Arvidsson et al
Journal of Physical Chemistry C. Vol. 127 (20), p. 9437-9451
Journal article
2022

Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy

Joakim Brorsson, A. Hashemi, Zheyong Fan et al
Advanced Theory and Simulations. Vol. 5 (2)
Journal article
2022

Strategic Optimization of the Electronic Transport Properties of Pseudo-Ternary Clathrates

Joakim Brorsson, Anders Palmqvist, Paul Erhart
Advanced Electronic Materials. Vol. 8 (3)
Journal article
2022

Thermodynamic analysis on the fate of ash elements in Chemical Looping Combustion of solid fuels using manganese oxide

Ivana Stanicic, Joakim Brorsson, Magnus Rydén et al
Proceedings of 6th International Conference on Chemical Looping
Paper in proceeding
2022

Thermodynamic Analysis on the Fate of Ash Elements in Chemical Looping Combustion of Solid Fuels Iron-Based Oxygen Carriers

Ivana Stanicic, Joakim Brorsson, Anders Hellman et al
Energy & Fuels. Vol. 36 (17), p. 9648-9659
Journal article
2021

First-Principles Study of Order-Disorder Transitions in Pseudobinary Clathrates

Joakim Brorsson, Anders Palmqvist, Paul Erhart
Journal of Physical Chemistry C. Vol. 125 (41), p. 22817-22826
Journal article
2021

Investigating the Chemical Ordering in Quaternary Clathrate Ba₈AlₓGa₁₆₋ₓGe₃₀

Yifei Zhang, Joakim Brorsson, Takashi Kamiyama et al
Inorganic Chemistry. Vol. 60 (22), p. 16977-16985
Journal article
2021

Enhanced Thermoelectric Performance of Ba8Ga16Ge30 Clathrate by Modulation Doping and Improved Carrier Mobility

Yifei Zhang, Joakim Brorsson, Ren Qiu et al
Advanced Electronic Materials. Vol. 7 (2)
Journal article
2021

Order-Disorder Transition in Inorganic Clathrates Controls Electrical Transport Properties

Joakim Brorsson, Yifei Zhang, Anders Palmqvist et al
Chemistry of Materials. Vol. 33 (12), p. 4500-4509
Journal article
2020

Enhanced Thermoelectric Performance of Ba8Ga16Ge30 Clathrateby Modulation Doping and Improved Carrier Mobility

Yifei Zhang, Joakim Brorsson, Ren Qiu et al
Advanced Electronic Materials. Vol. In Press, p. 2000782-
Journal article
2020

Computational assessment of the efficacy of halides as shape-directing agents in nanoparticle growth

Joakim Löfgren, Magnus Rahm, Joakim Brorsson et al
Physical Review Materials. Vol. 4 (9)
Journal article
2019

Thermal conductivity in intermetallic clathrates: A first-principles perspective

Daniel Lindroth, Joakim Brorsson, Erik Fransson et al
Physical Review B. Vol. 100 (4)
Journal article
2014

Gold-nanoparticle-assisted self-assembly of chemical gradients with tunable sub-50 nm molecular domains

Anders Lundgren, Mats Hulander, Joakim Brorsson et al
Particle and Particle Systems Characterization. Vol. 31 (2), p. 209-218
Journal article

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