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. 2019 Jan 16;10:234. doi: 10.1038/s41467-018-08136-3

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 5 — Optimized structures and energy profiles for Pt NP dispersion as isolated Pt atoms. a, b Calculated energies and surface structures for evaporation of a single Pt atom (Pt₁) from a Pt(221) step (red value) or evaporation of a PtO₂ species from an oxygen pre-covered Pt(221) step (black values). c, d Calculated energies and surface structures for dissociative capture of PtO₂ over Fe₂O₃(0001) surface and concomitant formation of a Pt₁ atom and evolved O₂. Color code: outermost layer Pt (green); second layer Pt (blue); O (red); Fe (purple)