▎ 摘　　要

The adsorption behaviors of H2S and its intermediates (SH and S) on Co anchored graphene sheets (Co-graphene) are investigated using first-principles calculations based density functional theory. It is found that the adsorbed SH and S species on the Co-graphene sheets are more stable than that of the H2S molecule. Besides, the chemisorbed SH and S species on the Co-graphene can lead to dramatic changes in the electronic structure and magnetic property by the occurring charge transfer. The electronic transport behaviors of Co-graphene nanosheets indicate that the chemical sensors construct with the materials could exhibit high sensitivity for detecting SH and S species. Therefore, these results provide valuable guidance on designing graphene-based gas sensors.