Effects of Doped N, B, P, and S Atoms on Graphene toward Oxygen Evolution Reactions.

ABSTRACT: Molecular oxygen and hydrogen can be obtained from the water-splitting process through the electrolysis technique. However, harnessing energy is very challenging in this way due to the involvement of the 4e^- reaction pathway, which is associated with a substantial amount of reaction barrier. After the report of the first N-doped graphene acting as an oxygen reduction reaction catalyst, the scientific community set out on exploring more reliable doping materials, better material engineering techniques, and developing computational models to explain the interfacial reactions. In this study, we modeled the graphene surface with four different nonmetal doping atoms N, B, P, and S individually by replacing a carbon atom from one of the graphitic positions. We report the mechanism of

SUBMITTER: Priyadarsini A 

PROVIDER: S-EPMC7931212 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature