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

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Bibliographic Details
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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