Atomic Pd on Graphdiyne/Graphene Heterostructure as Efficient Catalyst for Aromatic Nitroreduction,Advanced Functional Materials

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Atomic Pd on Graphdiyne/Graphene Heterostructure as Efficient Catalyst for Aromatic Nitroreduction
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2019-08-16 , DOI: 10.1002/adfm.201905423
Jiaqiang Li ₁ , Lixiang Zhong ₂ , Lianming Tong ₁ , Yue Yu ₁ , Qing Liu ₁ , Shuchen Zhang ₁ , Chen Yin ₁ , Liang Qiao _{2,

3} , Shuzhou Li ₂ , Rui Si ₄ , Jin Zhang ₁

Affiliation

With the maximum atom‐utilization efficiency, single atom catalysts (SACs) have attracted great research interest in catalysis science recently. To address the following key challenges for the further development of SACs: i) how to stabilize and avoid the aggregation of SACs, ii) how to enhance the specific surface area and conductivity of supports, and iii) how to achieve scalable mass production with low cost, a SAC consisting of single Pd atoms anchored on well‐designed graphdiyne/graphene (GDY/G) heterostructure (Pd₁/GDY/G) is synthesized. Pd₁/GDY/G exhibits high catalytic performance, as demonstrated by the reduction reaction of 4‐nitrophenol. Furthermore, density functional theory calculation indicates that graphene in the GDY/G heterostructure plays a key role in the enhancement of catalytic efficiency owing to the electron transfer process, deriving from the gap between the Fermi level of graphene and the conduction band minimum of GDY. The GDY/G heterostructure is a promising support for the preparation of extremely efficient and stable SACs, which can be used in a broad range of future industrial reactions.

中文翻译：

石墨二炔/石墨烯异质结构上的原子钯作为芳族硝基还原的高效催化剂

单原子催化剂（SAC）具有最大的原子利用效率，最近在催化科学领域引起了极大的研究兴趣。为了应对SAC的进一步发展面临的以下主要挑战：i）如何稳定和避免SAC的聚集； ii）如何提高载体的比表面积和电导率； iii）如何以较低的成本实现可扩展的批量生产成本方面，合成了由单个Pd原子锚定在设计良好的石墨二炔/石墨烯（GDY / G）异质结构（Pd ₁ / GDY / G）上的SAC 。钯₁/ GDY / G表现出较高的催化性能，如4-硝基苯酚的还原反应所证明。此外，密度泛函理论计算表明，由于石墨烯的费米能级与GDY导带最小值之间的间隙，由于电子转移过程，GDY / G异质结构中的石墨烯在催化效率的提高中起着关键作用。GDY / G异质结构为制备极其有效和稳定的SAC提供了有希望的支持，该SAC可用于未来的广泛工业反应中。

更新日期：2019-10-23

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