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    Interfacial-Bonding-Regulated CO Oxidation over Pt Atoms Immobilized on Gas-Exfoliated Hexagonal Boron Nitride

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    Type
    Article
    Authors
    Liu, Xin
    Zhu, Hongdan
    Linguerri, Roberto
    Han, Yu cc
    Chambaud, Gilberte
    Meng, Changgong
    KAUST Department
    Advanced Membranes and Porous Materials Research Center
    Chemical Science Program
    Nanostructured Functional Materials (NFM) laboratory
    Physical Science and Engineering (PSE) Division
    Date
    2017-10-12
    Online Publication Date
    2017-10-12
    Print Publication Date
    2017-10-11
    Permanent link to this record
    http://hdl.handle.net/10754/626038
    
    Metadata
    Show full item record
    Abstract
    We compared the electronic structure and CO oxidation mechanisms over Pt atoms immobilized by both B-vacancies and N-vacancies on gas-exfoliated hexagonal boron nitride. We showed that chemical bonds are formed between the B atoms associated with dangling bonds around the vacancies and Pt atoms. These bonds not only alter the thermodynamics and kinetics for the aggregation and effectively immobilize Pt atoms, but also significantly change the composition and energetic distribution of the electronic states of the composites to circumvent CO poisoning and to favour coadsorption of CO and O2, which further regulates the reactions to proceed through a Langmuir-Hinshelwood mechanism. The CO oxidation over Pt atoms immobilized at N-vacancies involves formation of an intermediate with –C(O)-O−O- bonded to Pt, the generation of CO2 by peroxo O−O bond scission and the reduction of the remnant oxygen, and the calculated energy barriers are 0.49, 0.23 and 0.18 eV, respectively. Such small energy barriers are comparable to those over Pt atoms trapped at B-vacancies, showing the effectiveness of Pt/hexagonal boron nitride atomic composites as catalysts for CO oxidation. These findings also suggest the feasibility of regulating the reaction pathways over single atom catalysts via interfacial engineering.
    Citation
    Liu X, Zhu H, Linguerri R, Han Y, Chambaud G, et al. (2017) Interfacial-Bonding-Regulated CO Oxidation over Pt Atoms Immobilized on Gas-Exfoliated Hexagonal Boron Nitride. ChemistrySelect 2: 9412–9419. Available: http://dx.doi.org/10.1002/slct.201701663.
    Sponsors
    National Natural Science Foundation of China[21771030, 21573034, 21373036, 21103015, 21771029]
    China Scholarship Council[201706060254]
    Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund[U1501501]
    Fundamental Research Funds for the Central Universities[DUT15LK18, DUT14LK09, DUT12LK14]
    Special Academic Partner GCR Program from King Abdullah University of Science and Technology
    Université Paris-Est
    Publisher
    Wiley
    Journal
    ChemistrySelect
    DOI
    10.1002/slct.201701663
    Additional Links
    http://onlinelibrary.wiley.com/doi/10.1002/slct.201701663/abstract
    ae974a485f413a2113503eed53cd6c53
    10.1002/slct.201701663
    Scopus Count
    Collections
    Articles; Advanced Membranes and Porous Materials Research Center; Physical Science and Engineering (PSE) Division; Chemical Science Program

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