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

被引：9
|
作者：
Yao, Zhenhua [1 ,2 ]
Li, Lei [3 ]
Liu, Xuguang [4 ]
Hui, Kwun Nam [5 ]
Shi, Ling [1 ,2 ]
Zhou, Furong [1 ,2 ]
Hu, Maocong [1 ,2 ]
Hui, K. S. [6 ]
机构：
[1] Jianghan Univ, Hubei Key Lab Ind Fume & Dust Pollut Control, Minist Educ, Wuhan 430056, Peoples R China
[2] Jianghan Univ, Key Lab Optoelect Chem Mat & Devices, Minist Educ, Wuhan 430056, Peoples R China
[3] Yangtze Normal Univ, Key Lab Extraordinary Bond Engn & Adv Mat Technol, Chongqing 408100, Peoples R China
[4] Qingdao Univ Sci & Technol, Coll Mat Sci & Engn, Qingdao 266042, Peoples R China
[5] Univ Macau, Inst Appl Phys & Mat Engn IAPME, Ave Univ, Taipa, Macao, Peoples R China
[6] Univ East Anglia, Sch Engn, Norwich NR4 7TJ, Norfolk, England
来源：
JOURNAL OF HAZARDOUS MATERIALS | 2021年 / 406卷
基金：
中国国家自然科学基金;
关键词：
NO abatement; Kinetic modeling; DFT study; Langmuir Hinshelwood dual-site mechanism; Graphene-based catalysis; TOTAL-ENERGY CALCULATIONS; NITRIC-OXIDE REDUCTION; NO+H-2 REACTION; NOX REDUCTION; HYDROGEN STORAGE; H-2; KINETICS; H-2-SCR; DFT; ADSORPTION;
D O I：
10.1016/j.jhazmat.2020.124327
中图分类号：
X [环境科学、安全科学];
学科分类号：
08 ; 0830 ;
摘要：
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.
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页数：10
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