Effective Methane Conversion to Methanol on Bi-Functional Graphene-Oxide-Supported Platinum Nanoclusters (Pt5)– A DFT Study
Identifying a high-performance catalyst for converting methane to methanol is crucial because methanol serves as an excellent energy source today and has wide chemical applications. In the present study, we used computational chemistry method DFT to investigate the reaction mechanism of methanol production converted from methane on Pt5 nanoparticle supported by graphene oxides (GO) substrate. Computational results predicted that Pt5/GO system exhibits excellent catalysis efficiency, compared with the previously examined Pt2/GO system. Energetics of examined molecular species and the reaction mechanism showed that Pt5/GO system exhibit high stability in this catalysis reaction and catalyzes the reaction efficiently. Moreover, between investigated two surfaces GO and UGO, GO performed better and should be a promising catalyst to convert methane into methanol.