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

• 作者: Bingxu Chen De Chen Gang Qian Jiaqi Lei Jingnan Wang Minjian Pan Wenyao Chen Wenzhao Fu Xinggui Zhou Xuezhi Duan
• 来源期刊: 绿色能源与环境:英文版
• 学科: 工学
• 关键词: Base-free OXIDATION of GLYCEROL Pt/CNTs catalyst Active sites Model CALCULATIONS DFT CALCULATIONS
• 年，卷（期）: 2020,（1）
• 页码范围: 76-82
• 页数: 7页
• 分类号: TB3

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.