Work

NiO lattice oxygen overflow promoted by Ti3C2 support enhances catalytic hydrolysis of carbonyl sulfide in metallurgical gas

Year: 2024

Type: article

Abstract: Achieving efficient hydrolysis of carbonyl sulfide (COS) on catalysts at moderate temperature, while suppressing the production of sulfate and carbon, remains a daunting challenge. Herein, NiO/Ti 3 C 2 MXene composites were prepared for the catalytic hydrolysis of COS at moderate temperature based on DFT simulation calculations that indicate the catalytic system of lattice oxygen activation-migration is conducive to COS hydrolysis. The NiO/Ti 3 C 2 exhibited a prominent COS hydrolysis activity compared to the pure NiO. Based on various characterizations and DFT calculations, a proton capture strategy for enhanced COS hydrolysis activity was proposed. The existence of a strong electronic interaction between NiO and Ti 3 C 2 activates the adjacent Ni-O bond at the interface, and makes the surface top-Ni active sites fully exposed under CO atmosphere. These top-Ni species accelerate the dissociation of H 2 O into ∗H, and facilitates protons transport to the intermediate ∗SH, thereby promoting the formation of H 2 S and the entire hydrolysis process. This proton capture strategy may provide help for the preparation of various high-performance catalysts for diverse hydrogenation reactions even beyond COS hydrolysis.

Source: Nano Materials Science

DOI: 10.1016/j.nanoms.2024.09.012