Photocatalytic O2 activation carried out by organic aerosol: A case study of 1, 8-naphthalic anhydride

1,8-naphthalene anhydride (1,8-NA) is a common polycyclic aromatic hydrocarbons (PAHs) which are the most important light absorbed-organic aerosols (BrC) in atmospheric. 1,8-NA can generate different ROSs (·OH, ·O2-, H2O2, 1O2) under the visible light irradiation. According to the results of DFT simulation and band structure analysis, 1,8-NA has the semiconductor characteristic, and the electrons of it can be excited from acid anhydride part to naphthalene ring part. Meanwhile, a built-in electric field exists between the acid anhydride and the naphthalene ring because of the molecular polarization of 1,8-NA. This electric field could promote the separation and migration of carriers. Therefore, electrons can easily be transferred to O2 and produce ROS. The properties and mechanism of photocatalytic O2 activation by atmospheric aerosol component 1, 8-NA were studied for the first time, which provided good support for further understanding of atmospheric photochemical mechanism.