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Investigating the electronic structure and adsorption of OCN− and CN− on Si12C12 Fullerene-like cages using DFT and MD simulations.

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Title: Investigating the electronic structure and adsorption of OCN− and CN− on Si12C12 Fullerene-like cages using DFT and MD simulations.
Authors: Sumayli, Abdulrahman1 (AUTHOR) aisumayli@nu.edu.sa, Alshahrani, Saad M.2 (AUTHOR)
Source: Scientific Reports. 8/5/2025, Vol. 15 Issue 1, p1-18. 18p.
Database: Academic Search Ultimate
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  Data: Investigating the electronic structure and adsorption of OCN<superscript>−</superscript> and CN<superscript>−</superscript> on Si<subscript>12</subscript>C<subscript>12</subscript> Fullerene-like cages using DFT and MD simulations.
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  Data: <searchLink fieldCode="AR" term="%22Sumayli%2C+Abdulrahman%22">Sumayli, Abdulrahman</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> aisumayli@nu.edu.sa</i><br /><searchLink fieldCode="AR" term="%22Alshahrani%2C+Saad+M%2E%22">Alshahrani, Saad M.</searchLink><relatesTo>2</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Scientific+Reports%22">Scientific Reports</searchLink>. 8/5/2025, Vol. 15 Issue 1, p1-18. 18p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=187141295
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      – Type: doi
        Value: 10.1038/s41598-025-11683-7
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      – Code: eng
        Text: English
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        PageCount: 18
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      – TitleFull: Investigating the electronic structure and adsorption of OCN− and CN− on Si12C12 Fullerene-like cages using DFT and MD simulations.
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              Text: 8/5/2025
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              Y: 2025
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