Exploring the Mobility of Cu in Bimetallic Nanocrystals to Promote Atomic-Scale Transformations under a Reactive Gas Environment

Jette K. Mathiesen^a,b, Kim D. Jensen^a, Sofie Colding-Jørgensen^c, Jack K. Pedersen^a, Tom Vosch^d, Jan Rossmeisl^a, Stig Helveg^c* and Kirsten M. Ø. Jensen^a*

^aCenter for High Entropy Alloy Catalysis (CHEAC), Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø, Denmark

^bDepartment of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark

^cCenter for Visualizing Catalytic Processes (VISION), Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark

^dDepartment of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø, Denmark

*Corresponding authors: stig@fysik.dtu.dk, kirsten@chem.ku.dk

DOI: (to be provided)

Zip-file with scripts to reproduce the results of the density functional theory simulations (2.2 MB).