Graphdiyne anchoring to construct highly dense palladium trimer active sites for the selective hydrogenation of acetylene

作     者：Rongrong Li Yuxue Yue Xianlang Chen Renqin Chang Jiaxin Zhang Bo Zhao Jieyu Zhang Di Cai Yihan Zhu Deman Han Jia Zhao Xiaonian Li Rongrong Li;Yuxue Yue;Xianlang Chen;Renqin Chang;Jiaxin Zhang;Bo Zhao;Jieyu Zhang;Di Cai;Yihan Zhu;Deman Han;Jia Zhao;Xiaonian Li

作者机构：Engineering Research Center of Recycling and Comprehensive Utilization of Pharmaceutical and Chemical Waste of Zhejiang ProvinceTaizhou UniversityTaizhou 318000China Industrial Catalysis Institute of Zhejiang University of TechnologyHangzhou 310014China Research Center of Analysis Measurement of Zhejiang University of TechnologyHangzhou 310014China School of ScienceZhejiang Sci-Tech UniversityHangzhou 310018China 

出 版 物：《Nano Research》 (纳米研究（英文版）)

年 卷 期：2023年第16卷第5期

页      面：6167-6177页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 0806[工学-冶金工程] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 0702[理学-物理学] 

基　　金：the National Key Research and Development Program of China(Nos.2021YFA1501800,2021YFA1501801,and 2021YFA1501802) the Science and Technology Department of Zhejiang Province(No.LGG20B060004) the Zhejiang Province Public Welfare Technology Application Research Project(No.LGF19B050002) the National Natural Science Foundation of China(Nos.21606199 and 21976129)are gratefully acknowledged 

主　　题：Pd cluster catalysts acetylene semi-hydrogenation Pd trimer 

摘      要：Semi-hydrogenation of acetylene is of growing interest and popularity but subjects to a major challenge in selective hydrogenation to ***,we report a strategy that uses graphdiyne(GDY)as a carrier to prepare single-cluster catalysts(SCCs),which on average clusters composed of three atoms(denoted as Pd3 trimer)and applied it to the acetylene semihydrogenation in the presence of large amounts of *** on experimental results and systematic quantum chemical research and computational screening,we found that there are multiple active Pd structures on GDY and the Pd3 trimer anchored on GDY is a specific and durable cluster with great potential for accurate and efficient heterogeneous *** synergetic effects between neighboring atoms in Pd trimer guarantee easy desorption of ethylene and the absence of unselective hydride species thereby preventing excessive hydrogenation to generate unwanted byproducts,which is a crucial mechanism for the excellent selectivity of the *** new method for precise synthesis Pd clusters provides accurate ways for designing selective hydrogenation catalysts at the atomic scale.