Long‐Range, Directional Ligand Effects in Metallic Alloys

Christian M. Clausen, Thomas A. A. Batchelor, Jack K. Pedersen and Jan Rossmeisl

Advanced Science, 2021, https://doi.org/10.1002/advs.202003357

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A statistical analysis uncovers what atomic positions, near the binding site on the surface of an alloy, exert an electronic effect on the adsorbate–surface bond. It is found that a specific position in the third layer has a significantly larger effect on the binding energy than similar or closer positions due to a favorable direction of interaction.
A statistical analysis uncovers what atomic positions, near the binding site on the surface of an alloy, exert an electronic effect on the adsorbate–surface bond. It is found that a specific position in the third layer has a significantly larger effect on the binding energy than similar or closer positions due to a favorable direction of interaction.