Adsorption of NO, NO2, CO, H2O and CO2 over isolated monovalent cations in faujasite zeolite: a periodic DFT investigation
Sign Up to like & getrecommendations! Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2373-2
Abstract: Using periodic density functional theory combined with advanced dispersion correction schemes, the adsorption of NO, NO2, CO, H2O and CO2 has been investigated for various cation-exchanged faujasite zeolites. In the context of preventing harmful releases… read more here.
Keywords: adsorption; no2 h2o; adsorption no2; h2o co2 ... See more keywords
WITHDRAWN: Adsorption of NO2 on monolayer MoS2 doped with Fe, Co, and Ni, Cu: A first-principles study
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DOI: 10.1016/j.rinp.2019.102504
Abstract: Abstract Here, we reported that Fe, Co, and Ni, Cu -doped MoS2 monolayers nanomaterials was a promising approach to improve their gas sensing performance. The adsorptions of NO2 gas molecule on Fe, Co, and Ni, Cu -doped… read more here.
Keywords: gas; monolayer; doped mos2; mos2 monolayer ... See more keywords