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arXiv · 2608.07884

Metastability limit of pristine 2D noble metals with high-energy facet: dominance of the Bell-Evans-Polanyi principle

Xiaoliang Zhong
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Abstract

Using density functional theory, we predict that ultrathin (110) sheets of Rh, Pd, Ag, and Ir tend to transform into their (100) counterparts via lattice contraction. An approximately linear relationship between the transformation barrier and the energy difference between (110) and (100) sheets is revealed, demonstrating that the Bell-Evans-Polanyi (BEP) principle dominates. Furthermore, the critical thicknesses for these metals are also described by the BEP principle: below these thicknesses, the (110) sheets are no longer metastable and undergo spontaneous structural transformation.

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Xiaoliang Zhong. 2026-08-08. Metastability limit of pristine 2D noble metals with high-energy facet: dominance of the Bell-Evans-Polanyi principle. https://arxiv.org/abs/2608.07884

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