Topological Insulators as Substrates for CO Oxidation Catalysis by Ultrathin Au Films

ORAL

Abstract

We propose a novel application of three dimensional topological insulators (3DTIs) in heterogeneous catalysis based on first- principles calculations within density functional theory. We use a Bi$_2$Se$_3$ substrate as the support of an ultrathin Au film, and show that the Au adatoms are strongly bound to and able to wet the surface of Bi$_2$Se$_3$. More importantly, we find the topological surface states of Bi$_2$Se$_3$ are robust against Au deposition, and it can enhance the interaction between Au and CO, O$_2$ molecules by acting as an $``$electron bath$"$. The present study may broaden the potential technological applications of 3DTIs, and shine some new light on the understanding of the role of surface states in heterogeneous catalysis.

*Supported by DMSE/BES of USDOE, USNSF, and NNSFC

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Authors

  • Hua Chen

    • U of Tennessee-Knoxville

  • Wenguang Zhu

    • University of Tennessee / Oak Ridge National Laboratory
    • University of Tennessee \& Oak Ridge National Laboratory
    • U of Tennessee-Knoxville; Oak Ridge National Laboratory

  • Di Xiao

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

  • Zhenyu Zhang

    • Oak Ridge National Laboratory / U of Tennessee
    • Oak Ridge National Laboratory / University of Tennessee / University of Science and Technology of China
    • Oak Ridge National Laboratory; U of Tennessee-Knoxville; ICQD/HFNL, USTC
    • Oak Ridge National Laboratory, U of Tennessee-Knoxville, U of Science and Technology of China
    • Oak Ridge National Laboratory; U of Tennessee at Knoxville
    • Oak Ridge National Laboratory, University of Tennessee-Knoxville, University of Science and Technology of China