Triple-function Mn regulation of NiFe (oxy)hydroxide for oxygen evolution reaction

doi:10.1016/j.jmst.2024.04.026

Abstract

Abstract: Transition metal (oxy)hydroxides are potential oxygen evolution reaction (OER) electrocatalysts; however, simultaneously modulating multiple factors to enhance their performance is a grand challenge. Here, we report an incorporating heteroatom strategy via one-step hydrothermal approach to adjust more than one factor of Mn-doped NiFe (oxy)hydroxide (Mn-NiFeOOH/LDH) heterojunction. Mn doping regulates heterojunction morphology (reducing nanoparticles and becoming thinner and denser nanosheets), Ni/Fe ratio and valence states (Ni²⁺, Ni³⁺, and Ni^3+Δ) of Ni ions. The former could effectively increase surface active sites, and the latter two reduce the content of Fe in the Mn_x-NiFeOOH/LDH heterojunction, enabling more Ni²⁺ convert to Ni^3+/3+Δ that have higher intrinsic OER activity. As a result, the first-rank Mn-NiFeOOH/LDH with ultra-low overpotential of 185 mV@20 mA cm^-2 and 296 mV@500 mA cm^-2, and the improved OER performance are outdo to those of commercial RuO₂ catalyst for OER. Moreover, the Mn-NiFeOOH/LDH affords the earliest initial potential (1.392 V vs. RHE), corresponds to a recorded low overpotential (162 mV). Based on the density functional theory (DFT), Mn dopants can alter intermediate adsorption energy and effectively decrease *OOH's energy barrier. This research exhibits a feasible strategy to design low cost electrocatalysts and provide new possibilities for future industrialization.

Key words: Electrocatalysts, Triple-function, Heteroatoms adjusting, DFT, Oxygen evolution reaction

Hui Wan, Meng-Yuan Xie, Bo Li, Jian-Hang Nie, Tao Huang, Lei Li, Jing-Hui Shi, Ming-Hua Xian, Jia-Rong Huang, Wangyu Hu, Gui-Fang Huang, Fei Gao, Wei-Qing Huang. Triple-function Mn regulation of NiFe (oxy)hydroxide for oxygen evolution reaction[J]. J. Mater. Sci. Technol., 2025, 207: 1-9.

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