Synthesis of ZIF with zinc, cobalt, or copper was carried out by microwaves. The effect of metal center on morphologies and pores of products was studied. Nitrogen adsorption/desorption onto ZIFs was examined by density functional theory. The micro, meso, and macropores of ZIF-8, Zn/Co-ZIF-8, and Cu/ZIF-8 ranged 99.814–99.969%, 0.055–0%, and 0.031–0.130%, respectively. Average pore sizes of ZIF-8, Zn/Co-ZIF-8, and Cu/ZIF-8 are 1.291, 1.194, and 1.164 nm, respectively. Monolayer saturation limits of nitrogen onto ZIF-8, Zn/Co-ZIF-8, and Cu/ZIF-8 were 21.152, 18.943, and 17.784 mmol/g, respectively. Further, the results included densities, total surface areas, total pore volumes, and average particle sizes of ZIF-8, Zn/Co-ZIF-8, and Cu/ZIF-8.