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BACKGROUND
The role of CO and adsorption sequence of CO and N2O in the adsorption and reduction of N2O on char was investigated based on density functional theory at the M06‐2X/6‐311G(d) theoretical level. This study lays a foundation for reaction mechanisms of the influence of CO on heterogeneous N2O reduction on char.
RESULTS
Zigzag and armchair models were used as char models. The first adsorption...