Abstract
In this study, Na0.7MnO2 samples were successfully synthesized using a solid-state synthesis route with Na and Mn acetate precursors. The resulting Na0.7MnO2 crystallized in a hexagonal lattice with space group P63/mmc. These materials were investigated for their capacity to adsorb 100 ppm of NO2 gas at room temperature. Na0.7MnO2 exhibited an exceptional NO2 adsorption capacity of 163.3 mg/g, surpassing many previously reported porous and non-porous materials. Comprehensive experimental and spectroscopic analyses confirmed the formation of NO, NO2–, and NO3– species, following NO2 adsorption on the Na0.7MnO2 surface. Theoretical calculations further supported the chemisorption of NO2 gas molecules on the Na0.7MnO2 surface, with a maximum adsorption energy of –1.937 eV. Spectroscopic and Bader charge analyses confirmed that the NO2 gas molecule acted as a charge acceptor species on the oxide surface. This work represents the first detailed study validating Na0.7MnO2 as an effective room-temperature adsorbent for capturing and mineralizing NO2 gas. The exceptional NO2 adsorption capacity and the mechanistic insights into the adsorption process suggest the promising potential of Na0.7MnO2 and related oxides for applications in NO2 gas capture and conversion.
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