Abstract
In recent years, the discovery of metal catalysts for the oxidation of silicon monoxide (SiO) has become extremely important. In first step, the Sn adoption of fullerene (\(\hbox {C}_{60})\) was investigated and then activation of surface of \(\hbox {Sn-C}_{60}\) via \(\hbox {O}_{2}\) molecule was examined. In second step, the SiO oxidation on surface of \(\hbox {Sn-C}_{60}\) via Langmuir Hinshelwood (LH) and Eley Rideal (ER) mechanisms was investigated. Results show that \(\hbox {O}_{2}\hbox {-Sn-C}_{60}\) can oxidize the SiO molecule via \(\hbox {Sn-C}_{60}\hbox {-O-O}^{*} + \hbox {SiO}\rightarrow \hbox {Sn-C}_{60}\hbox {-O-O}^{*}\hbox {-SiO} \rightarrow \hbox {Sn-C}_{60}\hbox {-O}^{*} + \hbox {SiO}_{2}\) and \(\hbox {Sn-C}_{60}\hbox {-O}^{*} + \hbox {SiO}\rightarrow \hbox {Sn-C}_{60} + \hbox {SiO}_{2}\) reactions. Results show that SiO oxidation via the LH mechanism has lower energy barrier than ER mechanism. Finally, \(\hbox {Sn-C}_{60}\) is an acceptable catalyst with high performance for SiO oxidation in normal temperature.
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Razavi, R., Abrishamifar, S.M., Kahkha, M.R.R. et al. Sn-adopted fullerene \((\hbox {C}_{60})\) nanocage as acceptable catalyst for silicon monoxide oxidation. Bull Mater Sci 41, 152 (2018). https://doi.org/10.1007/s12034-018-1652-9
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DOI: https://doi.org/10.1007/s12034-018-1652-9