Comparative catalytic approach of Ag doped ZnO with various nanocarbon materials toward CO2 reduction with magnetic field and carbon form dependence

Graphene oxide (GO) is a compromising catalyst material with a two-dimensional layer of carbon atoms having sp2 hybridization bonded in a hexagonal lattice structure. The gCN is a member of 2D-structured metal-free carbon materials. In this study, GO, gCN, fluorine, and nitrogen treated GO and ZnO-Ag (Ag doped ZnO) loaded carbon nanocomposites were studied. Fluorine and nitrogen treated GO is an up-rising carbon member. It has high stability. Its layer structure possess unique properties due to its C-F (covalent and semi-ionic) and C-N bonds. The computer simulations of all molecules were conducted using the Hartree-Fock function with a 6-311 G* mode on Spartan'14 software. A number of properties like molecule structure, electrostatic potential, local ionization potential, density, HOMO, and LUMO level of the molecules were obtained from computer simula-tions. Electrochemical CO2 reduction to CH3OH on catalysts was investigated in different electrolysis conditions, such as different electrolytes with UV-light and 0.07 T magnetic core treatment. Results showed that the introduction of ZnO-Ag on carbon nanocomposites improved properties of carbon nanocomposites, leading to a high conversion of CO2 to CH3OH. Methanol production rate was improved by five-times after UV-light (lambda = 254 nm) and 0.07 T magnetic core treatment. Faradaic efficiencies of carbon nanocomposites for methanol pro-duction through electrochemical reduction of CO2 in bicarbonate buffer and electrolytes were found to be 67.48% and 58.93% (compared to Ag/AgCl) at -2.7 V, respectively. Charge carrier properties and morphology profile of these nanocomposites were also analyzed.

Automated summary

Graphene oxide, fluorine and nitrogen treated graphene oxide, and ZnO-Ag loaded carbon nanocomposites were studied for electrochemical CO2 reduction to CH3OH catalysts. Introducing ZnO-Ag improved the properties of carbon nanocomposites, leading to a high conversion of CO2 to CH3OH.