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 transition-metal 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.