Toward Rational Design of Catalysts Supported on a Topological Insulator Substrate,ACS Catalysis

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Toward Rational Design of Catalysts Supported on a Topological Insulator Substrate
ACS Catalysis ( IF 11.3 ) Pub Date : 2015-10-30 00:00:00 , DOI: 10.1021/acscatal.5b01966
Jianping Xiao ₁ , Liangzhi Kou ₂ , Chi-Yung Yam ₃ , Thomas Frauenheim ₁ , Binghai Yan _{4,

5}

Affiliation

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.

中文翻译：

拓扑绝缘体基体上负载催化剂的合理设计

拓扑绝缘体（TI）的外来性和鲁棒性的金属表面状态已被期望为新型表面化学和催化提供有希望的平台。然而，仍不完全了解TI如何影响催化剂的活性。在这项工作中，我们研究了拓扑表面态（TSSs）对过渡金属簇（Au，Ag，Cu，Pt和Pd）的活性的影响，这些簇由TI Bi ₂ Se ₃支撑基质。已经发现，由于TSS，氧气在负载型催化剂上的吸附能总是可以提高的。然而，这不一定意味着催化氧化反应中活性的增加。而是，在TSS存在下增强的吸附行为表现出双重效应，这取决于这些催化剂与氧气的固有反应性。对于金的情况，由于TSS可以提高双氧的离解速率，因此可以提高催化氧化的活性。相反，由于TSS会抑制反应产物的解吸过程，因此对Pt和Pd团簇产生不利影响。我们还发现，TSS对氢气析出反应（HER）活性的影响非常相似（即，具有较弱反应性的金属可以从TSS中获得积极的影响）。

更新日期：2015-10-30

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