Tuning Interaction and Diffusion for Dimethyl Disulfide Adsorption on Cu-BTC Frameworks via Low Transition-Metal Doping

Metal-organic frameworks (MOFs) have been finding increasing involvements in the capture of environmentally unfriendly compounds including volatile organosulfides contained in a wide range of energy sources owing to their editable structures. In this study, modulation of interaction and diffusion for sulfide adsorption on Cu-BTC frameworks was achieved via doping a series of transitionmetal ions (Ni, Co, Fe, Zn, and Cr) at a low content through post-synthesis in an ethanol system. Synthesized samples were characterized, and dimethyl disulfide (DMDS) adsorption on different metal-doped structures were carefully studied through adsorption measurements combined with computational simulation. The results indicate that the transition-metal doping into the Cu-BTC structure at low content not only enhances the guest-host interaction via altering the cation compositions (introducing external ions along with reduction of Cu(II) to Cu(I)) but also promotes pore diffusion of DMDS through modifying porosities of the porous architectures. The present study highlights the tunable modification of the metal-organic framework structures via low metal doping and provides insights into the function-oriented structural optimization of their infrastructures.