Chemical Research in Chinese Universities ›› 2022, Vol. 38 ›› Issue (1): 92-98.doi: 10.1007/s40242-021-1387-9

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Loading Nickel Atoms on GDY for Efficient CO2 Fixation and Conversion

ZHENG Zhiqiang1, HE Feng2,3, XUE Yurui1,2, LI Yuliang1,2,3   

  1. 1. Science Center for Material Creation and Energy Conversion, School of Chemistry and Chemical Engineering, Institute of Frontier and Interdisciplinary Science, Shandong University, Jinan 250100, P. R. China;
    2. Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China;
    3. University of Chinese Academy of Sciences, Beijing 100049, P. R. China
  • Received:2021-09-24 Revised:2021-10-21 Online:2022-02-01 Published:2021-10-25
  • Contact: XUE Yurui, LI Yuliang E-mail:yrxue@sdu.edu.cn;ylli@iccas.ac.cn
  • Supported by:
    This work was supported by the National Key Research and Development Project of China(No.2018YFA0703501), the National Natural Science Foundation of China(Nos.21790050, 21790051, 22021002), and the Key Program of the Chinese Academy of Sciences(No.QYZDY-SSW-SLH015).

Abstract: Carbon dioxide(CO2) is an important and valuable C1 resource for the synthesis of numerous of value-added products. However, efficient fixation and conversion of CO2 into organic carbonates under mild conditions remain great challenges. Herein, graphdiyne(GDY)-based nickel atomic catalysts(Ni0/GDYs) were synthesized through a facile in-situ reduction method. Experimental results showed that the obtained Ni0/GDY had outstanding catalytic performances for converting CO2 into cyclic carbonates with a high reaction conversion(99%) and reaction selectivity(ca. 100%) at 80℃ and under 1 atm(1 atm=101325 Pa). Specially, the activation energy (Ea) value for the Ni0/GDY is 37.05 kJ/mol, lower than those of reported catalysts. The reaction mechanism was next carefully analyzed by using density functional theory(DFT) calculations. Such an excellent catalytic property could be mainly attributed to the high dispersion of active sites on the Ni0/GDY, and the unique incomplete charge transfer properties of GDY-based zero-valent metallic catalysts.

Key words: Graphdiyne, Atomic catalyst, Atomic catalysis, CO2 fixation, CO2 conversion