Selectivity control in alkyne semihydrogenation:Recent experimental and theoretical progress

作     者：Xiao-Tian Li Lin Chen Cheng Shang Zhi-Pan Liu 李晓天;陈林;商城;刘智攀

作者机构：Collaborative Innovation Center of Chemistry for Energy MaterialShanghai Key Laboratory of Molecular Catalysis and Innovative MaterialsKey Laboratory of Computational Physical ScienceDepartment of ChemistryFudan UniversityShanghai 200433China 

基　　金：国家重点研发计划(2018YFA0208600) 国家自然科学基金(22033003,21533001,91745201) 

出 版 物：《Chinese Journal of Catalysis》 (催化学报（英文）)

年 卷 期：2022年第43卷第8期

页      码：1991-2000页

摘      要：Researchers have been attempting to characterize heterogeneous catalysts in situ in addition to correlating their structures with their activity and selectivity in spite of many ***,we review recent experimental and theoretical advances regarding alkyne selective hydrogenation by Pd‐based catalysts,which are an important petrochemical *** catalytic selectivity for the reaction of alkynes to alkenes is influenced by the composition and structure of the *** progress achieved through experimental studies and atomic simulations has provided useful insights into the origins of the *** important role of the subsurface species(H and C)was revealed by monitoring the catalyst surface and the related catalytic *** atomic structures of the Pd catalytic centers and their relationship with selectivity were established through atomic *** combined knowledge gained from experimental and theoretical studies provides a fundamental understanding of catalytic mechanisms and reveals a path toward improved catalyst design.

主 题 词：Alkyne semihydrogenation Catalytic selectivity Surface science Machine learning Neural network potential 

学科分类：081702[081702] 081705[081705] 08[工学] 0817[工学-轻工类] 080502[080502] 0805[工学-能源动力学] 

核心收录：

D　O　I：10.1016/S1872-2067(21)64036-6

馆 藏 号：203113563...