Volume 40: Energy Transitions toward Carbon Neutrality: Part III

Experimental and theoretical study on the NO reduction by H2 over char decorated with Ni at low temperatures Kaixuan Feng, Ruixiang Lin, Yuyan Hu1, Yuheng Feng, Dezhen Chen, Tongcheng Cao

Abstract

In this study, we propose a reaction system for the low-temperature reduction of NO by H2 on carbon-based materials decorated with 5 wt.% Ni. This cost-effective catalyst system efficiently utilizes pyrolysis carbon-based materials and hydrogen. Additionally, it yields environmentally friendly products without requiring extra heat sources in practical SCR process.
Density functional theory elucidates the mechanism of NO heterogeneous reduction by H2 on Ni-decorated char. Two distinct reaction paths were identified, one involving the intermediate product N2O and the other not. These pathways exhibit different rate-determination steps and activation energies. Kinetic analysis indicates that the N2O byproduct pathway has a lower activation energy. Experimental results corroborate the theoretical findings.

Keywords Char-based catalysis; NO reduction; Low-temperature H2-Reduction; DFT study;