Syngas Conversion to C Species over WC and M/WC (M = Cu or Rh) Catalysts: Identifying the Function of Surface Termination and Supported Metal Type.

Improving the selectivity and activity of C species from syngas is still a challenge. In this work, catalysts with monolayer Cu or Rh supported over WC with different surface terminations (M/WC (M = Cu or Rh)) are rationally designed to facilitate C species generation. The complete reaction network is analyzed by DFT calculations.