Single atom Fe in favor of carbon disulfide (CS2) adsorption and thus the removal efficiency.

• Fe single-atom catalyst was synthesized through pyrolyzing coordinated polymer (PCP) strategy. • Interaction between CS 2 and Fe atom was far stronger than that with Fe 2 O 3 cluster. • High atom utilization and strong interaction ensured the high adsorption capacity. Carbon disulfide (CS 2) is a typical organic sulfur compound emitted from many industrial processes, such as petrochemical, smelting, et al. Chemical adsorption is a promising method for CS 2 removal and Fe based adsorbents usually show excellent performance. Single-atom catalysts (SACs) always perform magical effects in various heterogeneous reactions. In this work, pyrolyzing coordinated polymer (PCP) strategy was adopted to synthesize Fe single-atom catalyst. HAADF-STEM and XAFS results show that among several support precursor (Zn, Ce, Ag and Al), single-atom Fe only appears successfully on Al coordinated catalyst Fe-C/Al 2 O 3 , which also performs the optimal adsorption efficiency. The contrast with Fe 2 O 3 -C/Al 2 O 3 catalyst shows that single-atom Fe catalyst has remarkable advantage and the agglomeration of iron atoms decreases the adsorption capacity. DFT calculation results finally reveal that the strong interaction between Fe atom and C atom (in CS 2) induces the increment of CS 2 adsorption capacity on Fe single-atom catalyst Fe-C/Al 2 O 3. [ABSTRACT FROM AUTHOR]