Tunable ferroelectric single-atom catalysis of CO oxidation using a Pt/In2Se3 monolayer,Journal of Materials Chemistry A

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Tunable ferroelectric single-atom catalysis of CO oxidation using a Pt/In2Se3 monolayer
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2020-09-19 , DOI: 10.1039/d0ta07981b
Ting Hu _{1,

2,

3,

4,

5} , Haishan Su _{1,

2,

3,

4,

5} , Qiongyu Li _{1,

2,

3,

4,

5} , Erjun Kan _{1,

2,

3,

4,

5}

Affiliation

Catalysts with single-atom dispersions can not only minimize material usage but also exhibit fascinating activity. However, their superior catalytic properties can hardly be manipulated without a suitable substrate. Here, based on first principles calculations, we predicted that ferroelectric monolayer In₂Se₃ could be used as an appropriate substrate for Pt single-atom catalysts with strong binding energy and negative clustering energy. The Pt/In₂Se₃ catalyst showed extremely high activity for CO oxidation. Moreover, the catalytic performance can be well regulated by ferroelectric switch of monolayer In₂Se₃.

中文翻译：

使用Pt / In2Se3单层的可调谐铁电单原子催化CO氧化

具有单原子分散体的催化剂不仅可以最大程度地减少材料用量，而且还具有令人着迷的活性。然而，如果没有合适的底物，它们的优越的催化性能几乎无法操纵。在此，基于第一性原理计算，我们预测铁电单层In ₂ Se ₃可以用作具有强结合能和负团簇能的Pt单原子催化剂的合适底物。Pt / In ₂ Se ₃催化剂显示出极高的CO氧化活性。此外，通过单层In ₂ Se _3的铁电开关可以很好地调节催化性能。

更新日期：2020-10-13

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