Tunable redox reactions and catalytic activities by using carbon nanotube confined spaces
作者单位：State Key Laboratory of Catalysis (SKLC)Dalian Institute of Chemical Physics (DICP)Chinese Academy of Science (CAS)
会议名称：《中国化学会第十二届全国量子化学会议》
会议日期：2014年
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学]
摘 要：We performed calculations based on density functional theory and experimental studies to investigate the confinement effects in carbon *** found in the confined interior cavities of carbon nanotubes,the dissociative binding energies of CO,N2,and O2 are always weaker with respect to those on the same catalysts(Fe,Fe Co,Rh Mn,and Ru)supported on the *** weakened binding energies can be used to successfully interpret the pervious experimental observations in redox reactions,as well as being capable of predicting the activities of these catalysts in conjunction with theoretical microkinetic *** experimental results have also validated these predictions in two probe reactions,namely,the Fischer-Tropsch and ammonia *** present work demonstrates that a confined environment can result in significant strains on encapsulated catalysts and change their electronic ***,confinement effects exhibit the capability of tuning the intrinsic activity of catalysts.