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Updated: Nov 8, 2025

Synthesis of Platinum-nickel Nanowires and Optimization for Oxygen Reduction Performance
Published on: April 27, 2018
Synergetic effect dependence on activated oxygen in the interface of NiOx-modified Pt nanoparticles for the CO
Zihang Yao1, Jiaqiang Yang, Zhang Liu
1Department of Physics and Institute of Condensed Matter Physics, School of Science, Wuhan University of Technology, Wuhan 430070, China. liyanli128@163.com.
Abstract:
CO oxidation on NiOx-modified Pt nanoparticles (NPs) was investigated by first-principles calculations and microkinetic methods. The binding energies of O2 and CO on NiOx/Pt suggest that CO adsorption is dominant and the CO oxidation mainly follows the Mars-van Krevelen (M-vK) mechanism. It was found that the interfacial O of NiOx/Pt played a key role in the combination of adsorbed CO to O, as well as the O2 dissociation. With a lower O vacancy formation energy, NiOx/Ptedge shows about four orders higher reaction rates than NiOx/Pt(100). Microkinetic analysis suggests that the rate-determining step also depends on the active O at the interface. The calculations highlight the synergetic effect difference of NiOx selectively deposited on the different sites of Pt NPs on the CO oxidation from the atomic reaction mechanism, and throws light on the high activity of CO oxidation on partially covered NiOx/Ptedge nanoparticles.
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