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CO Oxidation Facilitated by Robust Surface States on Au-Covered Topological Insulators

Hua Chen, Wenguang Zhu, Di Xiao, and Zhenyu Zhang
Phys. Rev. Lett. 107, 056804 – Published 28 July 2011
Physics logo See Synopsis: Topological catalysis

Abstract

Surface states—the electronic states emerging as a solid material terminates at a surface—are usually vulnerable to contaminations and defects. The robust topological surface state(s) (TSS) on the three-dimensional topological insulators provide a perfect platform for exploiting surface states in less stringent environments. Employing first-principles density functional theory calculations, we demonstrate that the TSS can play a vital role in facilitating surface reactions by serving as an effective electron bath. We use CO oxidation on gold-covered Bi2Se3 as a prototype example, and show that the robust TSS can significantly enhance the adsorption energy of both CO and O2 molecules, by promoting different directions of static electron transfer. The concept of TSS as an electron bath may lead to new design principles beyond the conventional d-band theory of heterogeneous catalysis.

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  • Received 11 April 2011

DOI:https://doi.org/10.1103/PhysRevLett.107.056804

© 2011 American Physical Society

Synopsis

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Topological catalysis

Published 28 July 2011

Protected surface states of topological insulators could be exploited to enhance surface reaction dynamics.

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Authors & Affiliations

Hua Chen1, Wenguang Zhu1,2, Di Xiao2, and Zhenyu Zhang3,1

  • 1Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996, USA
  • 2Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
  • 3ICQD/HFNL, University of Science and Technology of China, Hefei, Anhui, 230026, China

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Issue

Vol. 107, Iss. 5 — 29 July 2011

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