Investigation of reaction mechanisms of CO2 reduction to methanol by Ni-C80 and Co-Si60 catalysts

The CO2 reduction on Ni-C-80 and Co-Si-60 are investigated and compared with various metal catalysts. In this work, the pathways to reduction of CO2 to CH3OH are examined. The Delta E-ad of metals on Ni-C-80 and Co-Si-60 indicated that studied metals have strong bonds with around atoms in Ni-C-80 and Co-Si-60. In this study, Delta E-ad of CO2 adsorption on Ni-C-80 and Co-Si-60 are higher than Delta E-ad to capture the CO2 on surfaces of various metal catalysts ca-0.156 eV. In this study, the desorption energy of CH3OH on Ni-C-80 and Co-Si-60 are ca-0.318 eV. The over potentials on Ni-C-80 and Co-Si-60 are lower than various metal catalysts. The Ni-C-80 and Co-Si-60 can be proposed as efficient catalyst for reduction reaction of CO2.

Automated summary

In this study, the reduction of CO2 on Ni-C-80 and Co-Si-60 was investigated and compared with various metal catalysts. It was found that the metals on Ni-C-80 and Co-Si-60 have strong bonds with surrounding atoms. The adsorption and desorption energies on Ni-C-80 and Co-Si-60 were higher, and the over potentials were lower compared to other metal catalysts, suggesting that Ni-C-80 and Co-Si-60 can serve as efficient catalysts for the reduction of CO2.