Mechanistic insights into NO-H2 reaction over Pt/boron-doped graphene catalyst

Zhenhua Yao, Lei Li, Xuguang Liu, Kwun Nam Hui, Ling Shi, Furong Zhou, Maocong Hu, K. S. Hui

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6 Citations (Scopus)
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This work presents a systematical experimental and density functional theory (DFT) studies to reveal the mechanism of NO reduction by H 2 reaction over platinum nanoparticles (NPs) deposited on boron-doped graphene (denoted as Pt/BG) catalyst. Both characterizations and DFT calculations identified boron (in Pt/BG) as an additional NO adsorption site other than the widely recognized Pt NPs. Moreover, BG led to a decrease of Pt NPs size in Pt/BG, which facilitated hydrogen spillover. The mathematical and physical criteria of the Langmuir-Hinshelwood dual-site kinetic model over the Pt/BG were satisfied, indicating that adsorbed NO on boron (in Pt/BG) was further activated by H-spillover. On the other hand, Pt/graphene (Pt/Gr) demonstrated a typical Langmuir-Hinshelwood single-site mechanism where Pt NPs solely served as active sites for NO adsorption. This work helps understand NO-H 2 reaction over Pt/BG and Pt/Gr catalysts in a closely mechanistic view and provides new insights into roles of active sites for improving the design of catalysts for NO abatement.

Original languageEnglish
Article number124327
JournalJournal of Hazardous Materials
Early online date20 Oct 2020
Publication statusPublished - 15 Mar 2021


  • DFT study
  • Graphene-based catalysis
  • Kinetic modeling
  • Langmuir−Hinshelwood dual-site mechanism
  • NO abatement

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