Influence of Pd-doping concentration on activity and CO anti-poisoning ability of PtPd/GNRs alloy catalyst for ethanol oxidation and density functional theory analysis

Graphene nanoribbons decorated with noble metal nanoparticles possess great catalytic performance for ethanol oxidation in direct ethanol fuel cells. Herein, PtPd alloy catalysts supported on graphene nanoribbons are researched, and an appropriate Pt–Pd component with the mole ratios of 0.46:0.54 is found to possess excellent catalytic activity and durability. Moreover, the density functional theory analysis shows that the composite catalyst with Pt:Pd ratio of 1:1 owns the highest negative electronic property and the high adsorption energy to restrict CO adsorption. The great CO anti-poisoning ability may be the main reason for the excellent catalytic performance of Pt0.46Pd0.54/GNRs catalyst. DFT theoretical calculation and electrochemical measurement indicate that the strong CO anti-poisoning ability results in the high catalytic activity and durability of PtPd/GNRs alloy nanocatalysts in DEFC. [Display omitted] •Strongest CO tolerance results in the best catalytic effect of Pt0.46Pd0.54/GNRs.•PtPd alloy nanoparticles with different Pd concentrations were supported on GNRs.•DFT calculation is used successfully to study CO anti-poisoning ability of catalysts.•Catalyst with PtPd ratio of 0.46:0.54 is found to possess excellent catalytic effect.