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Metal-coordinated nitrogen-doped carbon nanotubes are found to be effective catalysts for CO oxidation.The CO oxidation reaction on MnN4 embedded carbon nanotube(MnN4-CNT)is investigated systematically by using dispersion-corrected density functional theory study.It is found that CO adsorption is slightly favorable than O2 on MnN4-CNT.Three proposed mechanisms (Eley-Rideal,Langmuir–Hinshelwood,and a “new” termolecular Eley-Rideal)of the CO oxidation were investigated.The new termolecular Eley-Rideal mechanism is found to have rather small reaction barrier of 0.69 eV as rate-limiting step,suggesting that the CO oxidation could proceed at low temperature on MnN4-CNT.