文献类型：期刊文献

英文题名：Active sites of Pt/CNTs nanocatalysts for aerobic base-free oxidation of glycerol

作者：Pan, Minjian[1];Wang, Jingnan[1];Fu, Wenzhao[1];Chen, Bingxu[1];Lei, Jiaqi[1];Chen, Wenyao[1];Duan, Xuezhi[1];Chen, De[2];Qian, Gang[1];Zhou, Xinggui[1]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]Norwegian Univ Sci & Technol, Dept Chem Engn, N-7491 Trondheim, Norway

年份：2020

卷号：5

期号：1

起止页码：76

外文期刊名：GREEN ENERGY & ENVIRONMENT

收录：;EI(收录号：20210709907839);WOS:【SCI-EXPANDED(收录号:WOS:000516829700010)】；

基金：This work was 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), and the 111 Project of the Ministry of Education of China (B08021).

语种：英文

外文关键词：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. (C) 2019, Institute of Process Engineering, Chinese Academy of Sciences. Publishing services by Elsevier B.V. on behalf of KeAi Communications Co., Ltd.