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. 2022 Jan 25;13:484. doi: 10.1038/s41467-022-28146-6

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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. 4 — Visual representation of structures of BiVO₄ {110} surface (a) FeCoO_x/BiVO₄ {110} interface (b) and CoO_x/BiVO₄ {110} interface (c) for the DFT calculations. d Free energy diagram for OER process on FeCoO_x/BiVO₄ and CoO_x/BiVO₄ {110} interfaces. The surface structures with various reaction intermediates are shown alongside the free energy diagram. U_pds, equilibrium potential for the potential determining step. e Theoretical overpotential plot with O^∗ and OH^∗ binding energies as descriptors. Calculated densities of state for the BiVO₄ {110} surface (f), FeCoO_x/BiVO₄ {110} interface (g), and CoO_x/BiVO₄ {110} interface (h).