The effect of the unpaired d-orbital electron number in Fe and Co catalysts on Fischer–Tropsch synthesis

作者: Yongbiao Zhai , Juan Zhang , Jiaqiang Sun , Yingying Xue , Zheng Chen

DOI: 10.1039/C6CY01803C

关键词: ElectronAtomic orbitalFischer–Tropsch processElectron numberChemistryComputational chemistryCatalysis

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

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