Investigation of glucose electrooxidation mechanism over N-modified metal-doped graphene electrode by density functional theory approach.

ABSTRACT: In this work, various precious and non-precious metals reported in the literature as the most effective catalysts for glucose electrooxidation reaction were investigated by the density functional theory (DFT) approach in order to reveal the mechanisms taking place over the catalysts in the fuel cell. The use of a single-atom catalyst model was adopted by insertion of one Au, Cu, Ni, Pd, Pt, and Zn metal atom on the pyridinic N atoms doped graphene surface (NG). β form of d-glucose in alkaline solution was used to determine the reaction mechanism and intermediates that formed during the reaction. DFT results showed that the desired glucono-lactone was formed on the Cu-3NG electrode in a single-step reaction pathway whereas it was produced via different two-step pathways on the Au and Pt-3NG

SUBMITTER: Duzenli D 

PROVIDER: S-EPMC9546211 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature