Prediction of electronic properties of novel ZnS–ZnO-recycled expanded polystyrene nanocomposites by DFT

Prediction of electronic properties of novel ZnS–ZnO-recycled expanded polystyrene nanocomposites by DFT

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 me...

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Bibliographic Details
Main Authors: Rokhsareh Akbarzadeh, Olusola Olaitan Ayeleru, Qusai Ibrahim, Peter Apata Olubambi, Patrick Ndungu
Format: Article
Language:English
Published: Elsevier 2022-02-01
Series:Heliyon
Subjects:
Recycled expanded polystyrene
Density functional theory
ZnO
ZnS
Electronic structure
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844022001918

Internet

http://www.sciencedirect.com/science/article/pii/S2405844022001918

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