Investigating fullerene-oxide nanostructure as an adsorbent of ammonia: Complexation efficiency by density functional theory
- 12 July 2022
- journal article
- research article
- Published by IOS Press in Main Group Chemistry
- Vol. 21 (2), 671-680
- https://doi.org/10.3233/mgc-210168
Abstract
A model of OC20 fullerene-oxide (FO) was investigated in this work for adsorbing the ammonia (NH3) substance by the hypothesis of formations of bimolecular complexes of the two substances. To affirm such hypothesis, the models of singular NH3 and FOKeywords
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