Active sites of Pt/CNTs nanocatalysts for aerobic base-free oxidation of glycerol

作     者：Minjian Pan Jingnan Wang Wenzhao Fu Bingxu Chen Jiaqi Lei Wenyao Chen Xuezhi Duan De Chen Gang Qian Xinggui Zhou Minjian Pan;Jingnan Wang;Wenzhao Fu;Bingxu Chen;Jiaqi Lei;Wenyao Chen;Xuezhi Duan;De Chen;Gang Qian;Xinggui Zhou

作者机构：State Key Laboratory of Chemical EngineeringEast China University of Science and Technology130 Meilong RoadShanghai200237China Department of Chemical EngineeringNorwegian University of Science and TechnologyTrondheim7491Norway 

出 版 物：《Green Energy & Environment》 (绿色能源与环境（英文版）)

年 卷 期：2020年第5卷第1期

页      面：76-82页

核心收录：

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] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：financially supported by the Natural Science Foundation of China (21776077) the Shanghai Natural Science Foundation (17ZR1407300 and 17ZR1407500) the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning the Shanghai Rising-Star Program (17QA1401200) the Open Project of State Key Laboratory of Chemical Engineering (SKLChe-15C03) the State Key Laboratory of Organic– Inorganic Composites (oic-201801007) the Fundamental Research Funds for the Central Universities (222201718003) the 111 Project of the Ministry of Education of China (B08021) 

主　　题：Base-free oxidation of glycerol Pt/CNTs catalyst Active sites Model calculations DFT calculations 

摘      要：Understanding the nature of Pt active sites is of great importance for the structure-sensitive base-free oxidation of glycerol. In the present work, the remarkable Pt particle size effects on glycerol conversion and products formation from the oxidation of the primary and the secondary hydroxyl groups are understood by combining the model calculations and DFT calculations, aiming to discriminate the corresponding dominant Pt active sites. The Pt(100) facet is demonstrated to be the dominant active sites for the glycerol conversion and the products formation from the two routes. The insights revealed here could shed new light on fundamental understanding of the Pt particle size effects and then guiding the design and optimization of Pt-catalyzed base-free oxidation of glycerol toward targeted products.