Ram, R. et al. Water-hydroxide trapping in cobalt tungstate for proton exchange membrane water electrolysis. Science 384, 1373–1380 (2024).
Kong, S. et al. Acid-stable manganese oxides for proton exchange membrane water electrolysis. Nat. Catal. 7, 252–261 (2024).
Chong, L. et al. La- and Mn-doped cobalt spinel oxygen evolution catalyst for proton exchange membrane electrolysis. Science 380, 609–616 (2023).
Wu, T. et al. Iron-facilitated dynamic active-site generation on spinel CoAl2O4 with self-termination of surface reconstruction for water oxidation. Nat. Catal. 2, 763–772 (2019).
Liang, Z. et al. Modulating the electronic structure of cobalt-vanadium bimetal catalysts for high-stable anion exchange membrane water electrolyzer. Adv. Mater. 36, 2408634 (2024).
Zhang, J. et al. Tantalum-stabilized ruthenium oxide electrocatalysts for industrial water electrolysis. Science 387, 48–55 (2025).
Carmo, M., Fritz, D. L., Mergel, J. & Stolten, D. A comprehensive review on PEM water electrolysis. Int. J. Hydrog. Energy 38, 4901–4934 (2013).
Wu, Z.-Y. et al. Non-iridium-based electrocatalyst for durable acidic oxygen evolution reaction in proton exchange membrane water electrolysis. Nat. Mater. 22, 100–108 (2023).
Hao, S. et al. Torsion strained iridium oxide for efficient acidic water oxidation in proton exchange membrane electrolyzers. Nat. Nanotechnol. 16, 1371–1377 (2021).
Li, A. et al. Atomically dispersed hexavalent iridium oxide from MnO2 reduction for oxygen evolution catalysis. Science 384, 666–670 (2024).
Qiu, C. et al. Low-iridium stabilized ruthenium oxide anode catalyst for durable proton-exchange membrane water electrolysis. Nat. Nanotechnol. 20, 1787–1795 (2025).
Liang, C. et al. Unravelling the effects of active site density and energetics on the water oxidation activity of iridium oxides. Nat. Catal. 7, 763–775 (2024).
Zhao, X. et al. Engineering covalently bonded 2D layered materials by self-intercalation. Nature 581, 171–177 (2020).
Kim, J. et al. Principle of direct van der Waals epitaxy of single-crystalline films on epitaxial graphene. Nat. Commun. 5, 4836 (2014).
Du, Y. et al. Unlocking the potential of metastable-phase catalysts: advantages, stabilization, and applications. Chem. Soc. Rev. 54, 7706–7739 (2025).
Su, J., Huang, X. & Shao, Q. Emerging two dimensional metastable-phase oxides: insights and prospects in synthesis and catalysis. Angew. Chem. Int. Ed. 63, e202318028 (2024).
Li, Z. et al. Direct methane activation by atomically thin platinum nanolayers on two-dimensional metal carbides. Nat. Catal. 4, 882–891 (2021).
Cai, J. et al. Two-dimensional crystalline platinum oxide. Nat. Mater. 23, 1654–1663 (2024).
Biesinger, M. C. et al. Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Cr, Mn, Fe, Co and Ni. Appl. Surf. Sci. 257, 2717–2730 (2011).
Díaz-Fernández, D. et al. The growth of cobalt oxides on HOPG and SiO2 surfaces: a comparative study. Surf. Sci. 624, 145–153 (2014).
Agrestini, S. et al. Nature of the magnetism of iridium in the double perovskite Sr2CoIrO6. Phys. Rev. B 100, 014443 (2019).
Li, A. et al. Enhancing the stability of cobalt spinel oxide towards sustainable oxygen evolution in acid. Nat. Catal. 5, 109–118 (2022).
Su, R. et al. Utilizing the oxygen-atom trapping effect of Co3O4 with oxygen vacancies to promote chlorite activation for water decontamination. Proc. Natl Acad. Sci. 121, e2319427121 (2024).
Bernadotte, S., Atkins, A. J. & Jacob, C. R. Origin-independent calculation of quadrupole intensities in X-ray spectroscopy. J. Chem. Phys. 137, 204106 (2012).
Chang, C. F. et al. Spin blockade, orbital occupation, and charge ordering in La1.5Sr0.5CoO4. Phys. Rev. Lett. 102, 116401 (2009).
Burnus, T. et al. Valence, spin, and orbital state of Co ions in one-dimensional Ca3Co2O6: an X-ray absorption and magnetic circular dichroism study. Phys. Rev. B 74, 245111 (2006).
Hollmann, N. et al. Electronic and magnetic properties of the kagome systems YBaCo4O7 and YBaCo3MO7 (M = Al, Fe). Phys. Rev. B 80, 085111 (2009).
Hao, Y. et al. Switching the oxygen evolution mechanism on atomically dispersed Ru for enhanced acidic reaction kinetics. J. Am. Chem. Soc. 145, 23659–23669 (2023).
Zhang, R. et al. Tracking the role of defect types in Co3O4 structural evolution and active motifs during oxygen evolution reaction. J. Am. Chem. Soc. 145, 2271–2281 (2023).
Geiger, S. et al. The stability number as a metric for electrocatalyst stability benchmarking. Nat. Catal. 1, 508–515 (2018).
Chhowalla, M. et al. The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets. Nat. Chem. 5, 263–275 (2013).
Nørskov, J. K. et al. Origin of the overpotential for oxygen reduction at a fuel-cell cathode. J. Phys. Chem. B 108, 17886–17892 (2004).
Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558–561 (1993).
Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15–50 (1996).
Kresse, G. & Hafner, J. Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium. Phys. Rev. B 49, 14251–14269 (1994).
Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953–17979 (1994).
Dudarev, S. L., Botton, G. A., Savrasov, S. Y., Humphreys, C. J. & Sutton, A. P. Electron-energy-loss spectra and the structural stability of nickel oxide: an LSDA+U study. Phys. Rev. B 57, 1505–1509 (1998).
Wang, L., Maxisch, T. & Ceder, G. Oxidation energies of transition metal oxides within the GGA+U framework. Phys. Rev. B 73, 195107 (2006).
Raman, A. S., Patel, R. & Vojvodic, A. Surface stability of perovskite oxides under OER operating conditions: a first principles approach. Faraday Discuss. 229, 75–88 (2021).
