Catalytic Property and Stability of Subnanometer Pt Cluster on Carbon Nanotube in Direct Propane Dehydrogenation  

作　　者：Xiaoying Sun Jjiahui Xue Yu Ren Xinyu Li Liing Zhou Bo Li Zhen Zhao 

机构地区：[1]Institute of Catalysis for Energy and Environment,College of Chemistry and Chemical Engineering,Shenyang Normal University,Shenyang,Liaoning 110034,China [2]State Key Laboratory of Heavy Oil Processing,China University of Petroleum,Beijing 102249,China [3]Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sciences,Shenyang,Liaoning 110016,China

出　　处：《Chinese Journal of Chemistry》2021年第3期661-665,共5页中国化学（英文版）

基　　金：the National Natural Science Foun-dation of China(No.91845201);the Liaoning Natural Science Foundation(No.2019-ZD-0908).

摘　　要：Main observation and conclusion The stability of nanosized platinum catalyst in direct propane dehydrogenation reaction is one of most critical challenges,which hin-ders the further improvements of catalytic performance.The cokes from side reaction covering the active site seriously undermine the catalyst stability.In this work,first principles calculations are performed to explore the catalytic properties of supported subna-nometer platinum cluster on carbon nanotube support and focus is put on the inhibition of deep dehydrogenation.The reactivities of metal,interface,and tin promoter are investigated at the same footing.The whole reaction pathway from propane adsorption to propene desorption is revealed for different sites.It turns out that the C-H bond activation in propane is not the catalytic step with the largest barrier.Instead,the desorption of propene is more difficult.The comparison between different sites indicates that the in-terface between metal and support and Sn promoter is helpful to curb the propene deep dehydrogenation.Moreover,a descriptor is proposed to screen the potential effective propane direct dehydrogenation catalyst.The current work provides important insights on the development of new dehydrogenation catalyst.

关 键 词：Heterogeneous catalysis Supported catalysts PLATINUM Density functional calculations DEHYDROGENATION 

分 类 号：O64[理学—物理化学]