Anionic CO₂ activation in the anionic and di-anionic state of aza-naphthalene.

ABSTRACT: Nitrogen-containing polycyclic aromatic hydrocarbon (PAH) is the single basic moiety in N-doped graphene, the only metal-free catalyst reported to date to successfully produce the oxygen reduction reaction. N-doped graphene is quite promising as a material to increase the efficiency of oxygen reduction. In addition, it is known that when carbon dioxide is added to aza-benzene, there will be an associative chemical reaction upon electron attachment between the anionic nitrogen atoms in the aza-benzene and the carbon atom in the carbon dioxide; however, it has previously been reported that when there are more nitrogen atoms in the small aza-benzene moiety, the associative reaction does not always occur. In this study, we carried out a theoretical simulation to determine whether more electron

SUBMITTER: Park CJ 

PROVIDER: S-EPMC9037301 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature