Loading Nickel Atoms on GDY for Efficient CO2 Fixation and Conversion

• 作者: ZHENG Zhiqiang HE Feng XUE Yurui LI Yuliang
• 来源期刊: 高等学校化学研究（英文版）
• 年，卷（期）: 2022,（1）
• 所属期刊栏目: Articles
• 页码范围: 92-98
• 页数: 7页
• 语种: 英文

摘要

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.