Sun, YunshuyuLi, HaoHu, YaoWang, JinnanLi, AiminCorvini, Philippe2025-01-232024-010926-3373https://doi.org/10.1016/j.apcatb.2023.123269https://irf.fhnw.ch/handle/11654/49860https://doi.org/10.26041/fhnw-11746In the present work, NiFe layered double hydroxide (LDH) supported single Ru atoms in-situ growth on BiVO₄ photoanode (BiVO₄@NiFe-LDHs/Ru) was fabricated to enhance the photoelectrochemical (PEC) water splitting. Ru atoms anchored to NiFe-LDHs via oxygen coordination to form Ru-O-M bonds, which induced electrons rearrangement to improve charge carriers separation and injection. Combining with the synergistic effect of Ru and NiFe-LDHs, BiVO₄@NiFe-LDHs/Ru achieves high photocurrent density of 4.65 mA/cm² at 1.23 V vs. RHE. Besides, Ru atoms induced formation of V⁽⁵⁻ˣ⁾⁺ to stabilize V atoms in the lattice of BiVO4, which avoided V5+ dissolution during PEC water oxidation process. Density functional theory (DFT) calculation indicates that Ru SAs anchored to BiVO₄@NiFe-LDHs decrease the reaction energy barrier of rate-limiting step (*O → *OOH), resulting in acceleration of OER process. This work provides an effective pathway to design high efficient and stable photoanodes with single atoms for feasible PEC water splitting application.enCatalysisProcess Chemistry and TechnologyGeneral Environmental Science600 - Technik, Medizin, angewandte Wissenschaften01A - Beitrag in wissenschaftlicher Zeitschrift123269