In this study, we developed a simple synthesis method of carbonated mesoporous calcium silicate (MCS) materials loaded with iron (Fe-MCS), cerium (Ce-MCS), and iron and cerium (FeCe-MCS) using cetyltrimethylammonium bromide as a template. Such materials were characterized by different advanced techniques-X-ray diffraction analysis, nitrogen physisorption measurement, transmission electron microscopy, scanning electron microscopy with energy-dispersive spectroscopy, X-ray photoelectron spectroscopy, and Fourier-transform infrared spectroscopy. They were examined by adsorption isotherms and wet oxidation to explore their maximum adsorption capacity and catalytic activity toward diclofenac (DCF) in solution, respectively. Results indicated that the advantageous properties of metal-loaded MCS samples were relatively similar to pristine MCS, suggesting that the basic properties of carbonated MCS were properly maintained after the loading process. Their specific surface area and total pore volume ranged 468-634 m(2)/g and 0.761.15 cm(3)/g, respectively. The Langmuir maximum adsorption capacity of DCF by the prepared adsorbents followed the increasing order: MCS (11.8 mg/g) < Fe-MCS (13.8 mg/g) < Ce-MCS (14.7 mg/g) < FeCe-MCS (23.7 mg/g). The adsorption mechanism mainly involved pore filling, hydrogen bonding, and pi-pi interaction. The Fe-MCS catalyst exhibited higher DCF degradation efficiency and rate constant under wet oxidation than the other prepared catalysts. Therefore, the MCS loaded with iron can be regarded as a promising adsorbent and potential catalyst for the efficient removal of DCF drug from water media.