Lattice distortion releasing local surface strain on high-entropy alloys

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

Nano Research, 2021, https://doi.org/10.1007/s12274-021-3544-3

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Statistical analysis of density functional theory calculated adsorption energies reveals that lattice distortion effectively counteracts local strain effects that would otherwise affect the surface reactivity of high-entropy alloys.