文献类型：期刊文献

英文题名：NiCu Anchored on a Specific TiO2Face Tunes Electron Density for Selective Hydrogenation of Fatty Acids into Alkanes or Alcohols

作者：Long, Feng[1,2,3] Cao, Xincheng[1,2,3] Jiang, Xia[1,2,3] Liu, Peng[1,2,3] Jiang, Jianchun[1,2,3,4] Zhang, Xiaolei[5] Xu, Junming[1,2,3,4]

第一作者：Long, Feng

机构：[1] Key Laboratory of Biomass Energy and Material, Institute of Chemical Industry of Forest Products, Chinese Academy of Forestry, Jiangsu Province, Nanjing, 210042, China; [2] Key Laboratory of Chemical Engineering of Forest Products, National Forestry and Grassland Administration, Institute of Chemical Industry of Forest Products, Chinese Academy of Forestry, Nanjing, 210037, China; [3] National Engineering Laboratory for Biomass Chemical Utilization, Institute of Chemical Industry of Forest Products, Chinese Academy of Forestry, Nanjing, 210042, China; [4] Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing, 210037, China; [5] Department of Chemical and Process Engineering, University of Strathclyde, Glasgow, G11XJ, United Kingdom

年份：2022

卷号：10

期号：22

起止页码：7349-7361

外文期刊名：ACS Sustainable Chemistry and Engineering

收录：EI(收录号：20222412224018);Scopus(收录号：2-s2.0-85131734427)

语种：英文

外文关键词：Alcohols - Binary alloys - Carrier concentration - Catalyst activity - Charge transfer - Density functional theory - Design for testability - Diesel engines - Electron density measurement - Hydrogenation - Metals - Oxide minerals - Oxygen vacancies - Paraffins - X ray photoelectron spectroscopy

摘要：Catalyst design is critical for renewable selective hydrogenation of fatty acids into alkanes or alcohols, especially for active metals and supports. We demonstrate that NiCu anchored on a TiO2 (P25) surface, prepared by the impregnation method, performed superior temperature-sensitive catalytic activities with a higher fatty alcohol yield of 78.2% (205 °C, 4 MPa H2, and 12 h) and alkane yield of 85.0% (245 °C, 3 MPa H2, and 6 h). X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) suggest that Ni or NiCu anchored on rutile with oxygen vacancies can achieve reversal of charge transfer between the metal and TiO2 support. Especially, the normal NiCu cluster loading on the rutile surface can improve the dispersion of the NiCu cluster and oxygen vacancy concentration. Thus, more NiCu clusters anchored on oxygen defects can obtain negative charges in favor of alcohol production. In contrast, the other active NiCu clusters will preferentially cleave the C-C bond to produce alkanes at a higher reaction temperature. Our work provides a new strategy for designing highly effective hydrogenation catalysts. ? 2022 American Chemical Society.