Isolating Contiguous Ir Atoms and Forming Ir-W Intermetallics with Negatively Charged Ir for Efficient NO Reduction by CO

Abstract

The lack of efficient catalysts with a wide working temperature window and vital O₂ and SO₂ resistance for selective catalytic reduction of NO by CO (CO-SCR) largely hinders its implementation. Here, a novel Ir-based catalyst with only 1 wt% Ir loading is reported for efficient CO-SCR. In this catalyst, contiguous Ir atoms are isolated into single atoms, and Ir-W intermetallic nanoparticles are formed, which are supported on ordered mesoporous SiO₂ (KIT-6). Notably, this catalyst enables complete NO conversion to N₂ at 250 °C in the presence of 1% O₂ and has a wide temperature window (250-400 °C), outperforming the comparison samples with Ir isolated-single-atomic-sites and Ir nanoparticles, respectively. Also, it possesses a high SO₂ tolerance. Both experimental results and theoretical calculations reveal that single Ir atoms are negatively charged, dramatically enhancing the NO dissociation, while the Ir-W intermetallic nanoparticles accelerate the reduction of the N₂ O and NO₂ intermediates by CO.

Keywords: CO+NO; Ir single atoms; O 2 resistance; SO 2 resistance; intermetallic compounds.