Unni Engedahl

Showing 6 publications

2024
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Investigating the Composition of the Metal Dimer Site in Chabazite for Direct Methane-to-Methanol Conversion

Unni Engedahl, Astrid Boje, Henrik Ström et al
Journal of Physical Chemistry C. Vol. 128 (9), p. 3641-3651
Journal article
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2021
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Reaction mechanism for methane-to-methanol in CU-SSZ-13: First-principles study of the Z<inf>2</inf>[Cu<inf>2</inf>O] and Z<inf>2</inf>[Cu<inf>2</inf>oh] motifs

Unni Engedahl, Adam Arvidsson, Henrik Grönbeck et al
Catalysts. Vol. 11 (1), p. 1-12
Journal article
2021
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Complete Reaction Cycle for Methane-to-Methanol Conversion over Cu-SSZ-13: First-Principles Calculations and Microkinetic Modeling

Unni Engedahl, Astrid Boje, Henrik Ström et al
Journal of Physical Chemistry C. Vol. 125 (27), p. 14681-14688
Journal article
2019

First-principles study of oxidation state and coordination of Cu-Dimers in Cu-SSZ-13 during methane-to-methanol reaction conditions

Unni Engedahl, Henrik Grönbeck, Anders Hellman
Journal of Physical Chemistry C. Vol. 123 (43), p. 26145-26150
Journal article

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