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. 2020 Jun 5;11:2838. doi: 10.1038/s41467-020-16693-9

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© The Author(s) 2020

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 — a The reaction scheme of PDH to generate propylene and undesired products. b The energy barriers of each C–H scission and propylene desorption on Pt₃Sn(111)-Pt₃, PtGa:A(111)-Pt₃, and PtGa:A(111)-Pt₃. Inset picture shows the transition state structure in the third C–H scission for each surface. Dark green, light green, magenta, and cyan bars represent the activation energies for first (E₁), second (E₂), third (E₃) C–H scissions, and propylene desorption (E_d), respectively. Shaded parts in magenta bars correspond to ΔE (ΔE = E₃ − E_d).