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Published in 2019 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2019.143854
Abstract: Abstract Using Density Functional Theory, we have described the full inactivation of NO2 driven by silicene. NO2 is a harmful pollution-generating molecule, causing acid rain. We have studied the minimum energy pathway for the trapping…
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Keywords:
dissociation no2;
adsorption dissociation;
molecule;
no2 silicene ... See more keywords