Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation At Cu(111).
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DOI: 10.1002/advs.202513878
Abstract: Oxidizing transition metal surfaces are generally characterized by an increasing heterogeneity at simultaneous lowering of crystalline order. This complexity eludes present‐day first‐principles descriptions, with predictive‐quality surface phase diagrams commonly derived from comparing the stability of… read more here.
Keywords: sampling initial; surface; zone sampling; comfort zone ... See more keywords