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首页> 外文期刊>Advanced Functional Materials >Atomic Pd on Graphdiyne/Graphene Heterostructure as Efficient Catalyst for Aromatic Nitroreduction
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Atomic Pd on Graphdiyne/Graphene Heterostructure as Efficient Catalyst for Aromatic Nitroreduction

机译：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

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摘要

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 (Pd-1/GDY/G) is synthesized. Pd-1/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.
机译：以最大的原子利用效率，单原子催化剂（SAC）最近引起了催化科学领域的巨大研究兴趣。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导电率； iii）如何实现低产量可扩展的大规模生产成本上，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）上构成的SAC。如4-硝基苯酚的还原反应所示，Pd-1 / GDY / G具有高催化性能。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，GDY / G异质结构中的石墨烯由于电子转移过程而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提供了有前途的支持，该SAC可用于未来广泛的工业反应中。

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