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

Yao, Zhenhua, Li, Lei, Liu, Xuguang, Hui, Kwun Nam, Shi, Ling, Zhou, Furong, Hu, Maocong and Hui, K. S. (2021) Mechanistic insights into NO-H2 reaction over Pt/boron-doped graphene catalyst. Journal of Hazardous Materials, 406. ISSN 0304-3894

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Abstract

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.

Item Type: Article
Uncontrolled Keywords: dft study,graphene-based catalysis,kinetic modeling,langmuir−hinshelwood dual-site mechanism,no abatement,environmental engineering,environmental chemistry,waste management and disposal,pollution,health, toxicology and mutagenesis ,/dk/atira/pure/subjectarea/asjc/2300/2305
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Depositing User: LivePure Connector
Date Deposited: 21 Oct 2020 23:56
Last Modified: 06 Feb 2021 00:57
URI: https://ueaeprints.uea.ac.uk/id/eprint/77398
DOI: 10.1016/j.jhazmat.2020.124327

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