作者: Yongbiao Zhai , Juan Zhang , Jiaqiang Sun , Yingying Xue , Zheng Chen
DOI: 10.1039/C6CY01803C
关键词: Electron 、 Atomic orbital 、 Fischer–Tropsch process 、 Electron number 、 Chemistry 、 Computational chemistry 、 Catalysis
摘要: The unpaired d electron number is a significant parameter in designing highly active and selective catalysts. In this communication, we take Fe- Co-based catalysts as examples. was calculated, the results show that it can be used an indicator to select promoters for different