▎ 摘　　要

Numerous graphene-based products have been developed for many applications such as masks and graphenebased photodetectors. However, these products, especially external products in direct contact with human bodies, pose a potential threat to human health in environment with heavy air pollution. For example, small particles dropped from materials with altered properties by pollutants can be toxic to human body after inhaled. Meanwhile, defects during production and use can react with pollutants to form by-products that harm the human body and environment. Therefore, safety assessment of graphene under heavy pollution is of vital importance. Here we studied the reactions of ten air pollutants with non-defective and defective graphene to assess the safety of graphene using first principles. We found pollutants other than ozone do not change the physical and chemical properties of non-defect graphene. However, oxygen difluoride can react with defective graphene to release oxygen and fluorine free radicals, which are harmful to human body and environment. Our work provides rich data and effective guidance for assessing the safety of graphene-based products in humans and environment. This also provides guidance for the further development of safe graphene-based products.