2021
DOI: 10.21203/rs.3.rs-990839/v1
|View full text |Cite
Preprint
|
Sign up to set email alerts
|

Effect of Metal Oxides and Graphene Upon The Electronic Properties of Polyvinyl Alcohol

Abstract: Nanomaterials improve the physical and electronic characteristics of polymer matrices, allowing the matrices to be used as low cost, easy to handle sensors. Nano ZnO oxide is forming nanocomposite with PVA modified with graphene. Rather than ZnO other metal oxides are assumed to enhance the electronic properties of PVA modified with graphene (G). Accordingly, Density Function Theory (DFT) was used to analyze model molecules of Polyvinyl Alcohol (PVA) that improved with various metal oxides and graphene quantum… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1

Citation Types

0
1
0

Year Published

2024
2024
2024
2024

Publication Types

Select...
1

Relationship

0
1

Authors

Journals

citations
Cited by 1 publication
(1 citation statement)
references
References 31 publications
0
1
0
Order By: Relevance
“…The computations are performed using the 6-31 g basis set [47], which provides an accurate prediction of the molecular properties of the different nanosystems and has minimal computational complexity [48]. The hybrid functional (B3LYP) is employed in this work [49], which facilitates a good description of the electronic properties of various different systems [50,51]. The optical properties of 2D-ZnO quantum dots are investigated using time-dependent DFT (TD-DFT) calculations for the first twenty excited states.…”
Section: Computational Modelmentioning
confidence: 99%
“…The computations are performed using the 6-31 g basis set [47], which provides an accurate prediction of the molecular properties of the different nanosystems and has minimal computational complexity [48]. The hybrid functional (B3LYP) is employed in this work [49], which facilitates a good description of the electronic properties of various different systems [50,51]. The optical properties of 2D-ZnO quantum dots are investigated using time-dependent DFT (TD-DFT) calculations for the first twenty excited states.…”
Section: Computational Modelmentioning
confidence: 99%