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Updated: Sep 27, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Operando Observation of Oxygenated Intermediates during CO Hydrogenation on Rh Single Crystals

David Degerman1, Mikhail Shipilin1, Patrick Lömker1

  • 1Department of Physics, AlbaNova University Center, Stockholm University, Roslagstullsbacken 21, Stockholm 114 21, Sweden.

Journal of the American Chemical Society
|April 8, 2022
PubMed

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