Abstract
The selective catalytic reduction (SCR) reaction belongs to the gas-solid multiphase reaction, and the adsorption of NH 3 and NO play an important role in the reaction. The adsorption behaviors of NH 3 and NO were studied with the diffuse reflectance infrared transform spectroscopy (DRIFTS) methods; these results showed that there were obvious adsorption phenomena of NH 3 and NO on the catalysts. NH 3 could be strongly adsorbed on the catalysts, resulting in coordinated NH 3 and NH 4 + . NO adsorption led to the formation of bridging bidentate nitrate, chelating bidentate nitrate, and chelating nitro. In this study, the interaction of NH 3 and NO molecules with the Cu 2+ present on the CuAl 2 O 4 (100) surface had been investigated by using a periodic density functional theory (DFT). The results showed that the adsorption of all the molecules on the Cu 2+ site is energetically favourable, whereas NO bound was more stronger than that of NH 3 with the adsorption site, and key information about the structural and energetic properties was also addressed.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
