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. 2022 Feb 18;5:20. doi: 10.1038/s42004-022-00635-1

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© The Author(s) 2022

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. 3 — a The most stable adsorption configurations of anions on the Pt(111) surface. Color coded: O: red, H: white, Cl: green, N: blue, and S: olive. b The adsorption free energies of the anions, ΔG_adsorption(Aⁿ⁻) (eV), on the Pt(111) surface as a function of applied potential (V vs. RHE). The colored dashed lines qualitatively shows the trends in ΔG_adsorption(Aⁿ⁻) at higher potentials relevant for the oxygen evolution reaction (OER). Since the Pt(111) surface undergoes surface oxidation at these high potentials, we further calculated ΔG_adsorption(Aⁿ⁻) trends on a PtO₂(110) surface as shown in Supplementary Fig. 5 and Supplementary Table 4. Anion species color-coded: black (H₂O/OH^–/O^2–), blue ( ${ClO}_{4}^{-}$ ), red ( $N O_{3}^{-}$ ), and olive ( ${HSO}_{4}^{-} / S O_{4}^{2 -}$ ). HER/HOR, and ORR stand for hydrogen evolution/oxidation reaction and oxygen reduction reaction, respectively.