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 as a prototype example, and show that the robust TSS can significantly enhance the adsorption energy of both CO and 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 -band theory of heterogeneous catalysis.
- Received 11 April 2011
DOI:https://doi.org/10.1103/PhysRevLett.107.056804
© 2011 American Physical Society
Synopsis
Topological catalysis
Published 28 July 2011
Protected surface states of topological insulators could be exploited to enhance surface reaction dynamics.
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