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Updated: Jun 28, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Lisa Eckendörfer1, Dominik Rudolf1, Andreas Brix1
1Institute of Reaction Engineering and Catalysis, TU Dortmund University, Dortmund, Germany; email: lisa.eckendoerfer@tu-dortmund.de, dominik.rudolf@tu-dortmund.de, andreas.brix@tu-dortmund.de, marion.boernhorst@tu-dortmund.de, hannsjoerg.freund@tu-dortmund.de.
Periodic open cellular structures (POCS) offer advanced catalyst supports and packing elements. Their controllable flow fields enhance heat and mass transport for efficient, sustainable chemical processes.
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