Toward rational design of catalysts supported on a topological insulator substrate

Xiao, Jianping, Kou, Liangzhi, Yam, Chi-Yung, Frauenheim, Thomas, & Yan, Binghai (2015) Toward rational design of catalysts supported on a topological insulator substrate. ACS Catalysis, 5(12), pp. 7063-7067.

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Exotic and robust metallic surface states of topological insulators (TIs) have been expected to provide a promising platform for novel surface chemistry and catalysis. However, it is still not fully known how TIs affect the activity of catalysts. In this work, we study the effects of topological surface states (TSSs) on the activity of transition metal clusters (Au, Ag, Cu, Pt, and Pd), which are supported on a TI Bi2Se3 substrate. It was found the adsorption energy of oxygen on the supported catalysts can be always enhanced due to the TSSs. However, it does not necessarily mean an increase of the activity in catalytic oxidation reaction. Rather, the enhanced adsorption behavior in the presence of TSSs exhibits dual effects, determined by the intrinsic reactivity of these catalysts with oxygen. For the Au case, the activity of catalytic oxidation can be improved because the TSSs can enhance the dissociation rate of dioxygen. In contrast, a negative effect is found for the Pt and Pd clusters since the TSSs will suppress the desorption process of reaction products. We also found that the effect of TSSs on the activity of hydrogen evolution reaction (HER) is quite similar (i.e., the metals with original weak reactivity can gain a positive effect from TSSs). The present work can pave a way for more rational design and selection of catalysts when using TIs as substrates. © 2015 American Chemical Society.

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ID Code: 98061
Item Type: Journal Article
Refereed: Yes
Additional URLs:
Keywords: adsorption, catalytic oxidation, heterogeneous catalysis, hydrogen evolution, topological surfaces states
DOI: 10.1021/acscatal.5b01966
ISSN: 2155-5435
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2015 American Chemical Society
Deposited On: 17 Aug 2016 02:09
Last Modified: 18 Aug 2016 04:10

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