Conversion of 2H MoS2 to 1 T MoS2 via lithium ion doping: Effective removal of elemental mercury.

• A simple high-temperature calcination method was used to produce metallic molybdenum disulfide (1 T-Li x MoS 2). • The phase change increases the active site. • ML-100 adsorbent has good mercury removal efficiency and cycle stability. • Density functional theory(DFT) was used to verify the increase in surface activity after 2H-MoS 2 phase changed to 1 T-MoS 2. In this work, a simple high-temperature calcination method was used to produce metallic molybdenum disulfide (1 T-Li x MoS 2). Experiments and simulations show that 1 T-MoS 2 has stronger surface activity and enhances the adsorption capacity of Hg0, thereby effectively removing elemental mercury (Hg0) in coal-fired flue gas. Sample ML-100 could maintain a mercury removal efficiency of approximately 92% after 6-cycle experiments, and approximately 97% efficiency could be maintained throughout a long-term experiment. The proposed method converts the 2H phase to the 1 T phase by doping commercial MoS 2 with lithium ions, thereby improving the removal efficiency of elemental mercury in the flue gas. [ABSTRACT FROM AUTHOR]