期刊
PHYSICAL REVIEW LETTERS
卷 107, 期 5, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.107.056804
关键词
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资金
- U.S. National Science Foundation [0906025]
- National Natural Science Foundation of China [11034006]
- UT/ORNL Joint Institute for Advanced Materials
- U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0906025] Funding Source: National Science Foundation
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 O-2 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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