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Keywords:

  • density functional calculations;
  • Fischer–Tropsch synthesis;
  • heterogeneous catalysis;
  • hydrogenation;
  • kinetics
Thumbnail image of graphical abstract

Water increases Fischer–Tropsch synthesis (FTS) rates on Ru through H-shuttling processes. Chemisorbed hydrogen (H*) transfers its electron to the metal and protonates the O-atom of CO* to form COH*, which subsequently hydrogenates to *HCOH* in the kinetically relevant step. H2O also increases the chain length of FTS products by mediating the H-transfer steps during reactions of alkyl groups with CO* to form longer-chain alkylidynes and OH*.