Crystal facet-dependent CO_(2) cycloaddition to epoxides over ZnO catalysts
作者机构：Inner Mongolia Key Laboratory of Industrial CatalysisHohhot 010051China College of Chemical EngineeringInner Mongolia University of TechnologyHohhot 010051China
出 版 物：《Frontiers of Chemical Science and Engineering》 (化学科学与工程前沿（英文版）)
年 卷 期：2024年第18卷第5期
页 面：49-59页
核心收录：
学科分类：081704[工学-应用化学] 07[理学] 0817[工学-化学工程与技术] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0703[理学-化学]
基 金：This work was supported by the National Natural Science Foundation of China(Grant No.22008177) the Natural Science Foundation of Inner Mongolia(Grant Nos.2023MS02004 2023MS02011) the Foundation of Inner Mongolia Education Department(Grant No.JY20220266) and the Program for Young Talents of Science and Technology of Inner Mongolia(Grant No.NJYT23040)
主 题：carbon dioxide cycloaddition zinc oxide crystal face oxygen vacancy
摘 要：With regard to green chemistry and sustainable development,the fixation of CO_(2) into epoxides to form cyclic carbonates is an attractive and promising pathway for CO_(2) *** oxides,renowned as promising eco-friendly catalysts for industrial production,are often undervalued in terms of their impact on the CO_(2)addition *** this work,we successfully developed ZnO nanoplates with(002)surfaces and ZnO nanorods with(100)surfaces via morphology-oriented regulation to explore the effect of crystal faces on CO_(2) *** quantitative data obtained from electron paramagnetic resonance spectroscopy indicated that the concentration of oxygen vacancies on the ZnO nanoplate surfaces was more than twice that on the ZnO nanorod *** functional theory calculations suggested that the(002)surfaces have lower adsorption energies for CO_(2) and epichlorohydrin than the(100)*** a result,the yield of cyclochloropropene carbonate on the ZnO nanoplates(64.7%)was much greater than that on the ZnO nanorods(42.3%).Further evaluation of the reused catalysts revealed that the decrease in the oxygen vacancy concentration was the primary factor contributing to the decrease in catalytic *** on these findings,a possible catalytic mechanism for CO_(2) cycloaddition with epichlorohydrin was *** work provides a new idea for the controllable preparation of high-performance ZnO catalysts for the synthesis of cyclic carbonates from CO_(2) and epoxides.
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