MXene@NiCoP was prepared with sufficient active sites and efficient cathodic oxygen diffusion for the ORR. The MXene enhanced the electron transfer and surface activity of NiCoP, resulting in low overpotential and high OH* adsorption energy.

Co3S4 was doped by Cr in bulk phase and P on surface to achieve a low overpotential of 257 mV and a long-term durability over 48 h during oxygen evolution...

The electrolyte ion diffusion kinetics have an important impact on electrochemical energy storage. Herein, we report the effect of the intrinsic porosity of NiCoP on accelerating electrolyte ion diffusion kinetics and accommodating volume expansion during the charge/discharge process. The pore distribution model of electrode/electrolyte was designed and optimized by the finite element simulation, demonstrating the visualization and quantitative analysis of the diffusion process of the electrode/electrolyte interface with intrinsic porous structure. When the pore area ratio reached 50.01%, the theoretical diffusion coefficient of 1.41 × 10–11 m2 s–1 would be conducive to the rapid diffusion of electrolytes. The electrode gained a specific capacity of 2805 F g–1 at a current density of 1 A g–1 based on the measured diffusion coefficient (1.79 × 10–10 m2 s–1), superior to 1.44-times that of the pristine electrode. The diffusion barriers of intrinsic porous NiCoP (3.19 eV) and conventional NiCoP (47.10 eV) were calculated by the density functional theory calculations, respectively. The intrinsic porous NiCoP was prepared by the hydrothermal treatment, annealing, and phosphating processes. The pore distribution was regulated by the concentration of NaHCO3 as a pore-forming additive. This work combines simulations and experiments to form a method to optimize diffusion kinetics at the electrode/electrolyte interface.

Metal–support interaction (MSI) is considered a key effect of electronic and geometric structures of catalysts on tuning catalytic performance. The oxygen evolution reaction (OER) is a crucial process during energy conversion and storage. However, the OER process requires the help of noble metal catalysts to reduce the reaction overpotential, enhance reactivity with intermediates, and maintain good operating stability. Carbon–supported metal catalysts have been considered candidates for noble metal catalysts for OER. MSI occurs at the interface of carbon supports and metals, affecting the catalytic performance through electronic and geometric modulation. MSI can influence the catalytic performance and change reaction pathways from charge redistribution, electron transfer, chemical coordination and bonding, and steric effect. Connecting MSI effects with the OER mechanism can provide theoretical guidance and a practical approach to the design of efficient catalysts, including the modulation of particle size, morphology, heteroatom doping, defect engineering, and coordination atom and number. Advantage can be taken of MSI modulation between metal compounds and carbon supports to provide guidance for catalyst design.

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