2022
DOI: 10.1016/j.heliyon.2022.e08903
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Prediction of electronic properties of novel ZnS–ZnO-recycled expanded polystyrene nanocomposites by DFT

Abstract: DFT calculations using Material Studio (2019) were used to ascertain the changes in electronic properties of recycled expanded polystyrene (rEPS) after modification with nanoparticles of ZnS and ZnO. The nanocomposites were obtained using rEPS and suitable metal salt precursors via a solvothermal method. The XRD analysis was conducted to obtain the crystallography data of the new rEPS-based nanocomposites. Using Material Studio simulation software, the potential photocatalytic properties of the new prepared ma… Show more

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Cited by 6 publications
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