Effect of CuO and Graphene on PTFE Microfibers: Experimental and Modeling Approaches
The surface of pure polytetrafluoroethylene (PTFE) microfibers was modified with ZnO and graphene (G), and the composite was studied using ATR-FTIR, XRD, and FESEM. FTIR results showed that two significant bands appeared at 1556 cm<sup>−1</sup> and 515 cm<sup>−1</sup> as indi...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-03-01
|
| Series: | Polymers |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4360/14/6/1069 |
| _version_ | 1797443288786010112 |
|---|---|
| author | Maroof A. Hegazy Hend A. Ezzat Ibrahim S. Yahia Heba Y. Zahran Hanan Elhaes Islam Gomaa Medhat A. Ibrahim |
| author_facet | Maroof A. Hegazy Hend A. Ezzat Ibrahim S. Yahia Heba Y. Zahran Hanan Elhaes Islam Gomaa Medhat A. Ibrahim |
| author_sort | Maroof A. Hegazy |
| collection | DOAJ |
| description | The surface of pure polytetrafluoroethylene (PTFE) microfibers was modified with ZnO and graphene (G), and the composite was studied using ATR-FTIR, XRD, and FESEM. FTIR results showed that two significant bands appeared at 1556 cm<sup>−1</sup> and 515 cm<sup>−1</sup> as indications for CuO and G interaction. The SEM results indicated that CuO and G were distributed uniformly on the surface of the PTFE microfibers, confirming the production of the PTFE/CuO/G composite. Density functional theory (DFT) calculations were performed on PTFE polymer nanocomposites containing various metal oxides (MOs) such as MgO, Al<sub>2</sub>O<sub>3</sub>, SiO<sub>2</sub>, TiO<sub>2</sub>, Fe<sub>3</sub>O<sub>4</sub>, NiO, CuO, ZnO, and ZrO<sub>2</sub> at the B3LYP level using the LAN2DZ basis set. Total dipole moment (TDM) and HOMO/LUMO bandgap energy ΔE both show that the physical and electrical characteristics of PTFE with OCu change to 76.136 Debye and 0.400 eV, respectively. PTFE/OCu was investigated to observe its interaction with graphene quantum dots (GQDs). The results show that PTFE/OCu/GQD ZTRI surface conductivity improved significantly. As a result, the TDM of PTFE/OCu/GQD ZTRI and the HOMO/LUMO bandgap energy ΔE were 39.124 Debye and ΔE 0.206 eV, respectively. The new electrical characteristics of PTFE/OCu/GQD ZTRI indicate that this surface is appropriate for electronic applications. |
| first_indexed | 2024-03-09T12:53:48Z |
| format | Article |
| id | doaj.art-5355962af55649fb8d85c6334e694d19 |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-09T12:53:48Z |
| publishDate | 2022-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-5355962af55649fb8d85c6334e694d192023-11-30T22:02:03ZengMDPI AGPolymers2073-43602022-03-01146106910.3390/polym14061069Effect of CuO and Graphene on PTFE Microfibers: Experimental and Modeling ApproachesMaroof A. Hegazy0Hend A. Ezzat1Ibrahim S. Yahia2Heba Y. Zahran3Hanan Elhaes4Islam Gomaa5Medhat A. Ibrahim6Nano Unit, Space Lab, Solar and Space Research Department, National Research Institute of Astronomy and Geophysics (NRIAG), Helwan 11421, EgyptNano Unit, Space Lab, Solar and Space Research Department, National Research Institute of Astronomy and Geophysics (NRIAG), Helwan 11421, EgyptLaboratory of Nano-Smart Materials for Science and Technology (LNSMST), Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi ArabiaLaboratory of Nano-Smart Materials for Science and Technology (LNSMST), Department of Physics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi ArabiaPhysics Department, Faculty of Women for Arts, Science and Education, Ain Shams University, Cairo 11757, EgyptNanotechnology Research Centre (NTRC), The British University in Egypt (BUE), Suez Desert Road, El-Sherouk City 11837, EgyptNanotechnology Research Centre (NTRC), The British University in Egypt (BUE), Suez Desert Road, El-Sherouk City 11837, EgyptThe surface of pure polytetrafluoroethylene (PTFE) microfibers was modified with ZnO and graphene (G), and the composite was studied using ATR-FTIR, XRD, and FESEM. FTIR results showed that two significant bands appeared at 1556 cm<sup>−1</sup> and 515 cm<sup>−1</sup> as indications for CuO and G interaction. The SEM results indicated that CuO and G were distributed uniformly on the surface of the PTFE microfibers, confirming the production of the PTFE/CuO/G composite. Density functional theory (DFT) calculations were performed on PTFE polymer nanocomposites containing various metal oxides (MOs) such as MgO, Al<sub>2</sub>O<sub>3</sub>, SiO<sub>2</sub>, TiO<sub>2</sub>, Fe<sub>3</sub>O<sub>4</sub>, NiO, CuO, ZnO, and ZrO<sub>2</sub> at the B3LYP level using the LAN2DZ basis set. Total dipole moment (TDM) and HOMO/LUMO bandgap energy ΔE both show that the physical and electrical characteristics of PTFE with OCu change to 76.136 Debye and 0.400 eV, respectively. PTFE/OCu was investigated to observe its interaction with graphene quantum dots (GQDs). The results show that PTFE/OCu/GQD ZTRI surface conductivity improved significantly. As a result, the TDM of PTFE/OCu/GQD ZTRI and the HOMO/LUMO bandgap energy ΔE were 39.124 Debye and ΔE 0.206 eV, respectively. The new electrical characteristics of PTFE/OCu/GQD ZTRI indicate that this surface is appropriate for electronic applications.https://www.mdpi.com/2073-4360/14/6/1069PTFE microfibersFTIRXRDFESEMGDFT |
| spellingShingle | Maroof A. Hegazy Hend A. Ezzat Ibrahim S. Yahia Heba Y. Zahran Hanan Elhaes Islam Gomaa Medhat A. Ibrahim Effect of CuO and Graphene on PTFE Microfibers: Experimental and Modeling Approaches Polymers PTFE microfibers FTIR XRD FESEM G DFT |
| title | Effect of CuO and Graphene on PTFE Microfibers: Experimental and Modeling Approaches |
| title_full | Effect of CuO and Graphene on PTFE Microfibers: Experimental and Modeling Approaches |
| title_fullStr | Effect of CuO and Graphene on PTFE Microfibers: Experimental and Modeling Approaches |
| title_full_unstemmed | Effect of CuO and Graphene on PTFE Microfibers: Experimental and Modeling Approaches |
| title_short | Effect of CuO and Graphene on PTFE Microfibers: Experimental and Modeling Approaches |
| title_sort | effect of cuo and graphene on ptfe microfibers experimental and modeling approaches |
| topic | PTFE microfibers FTIR XRD FESEM G DFT |
| url | https://www.mdpi.com/2073-4360/14/6/1069 |
| work_keys_str_mv | AT maroofahegazy effectofcuoandgrapheneonptfemicrofibersexperimentalandmodelingapproaches AT hendaezzat effectofcuoandgrapheneonptfemicrofibersexperimentalandmodelingapproaches AT ibrahimsyahia effectofcuoandgrapheneonptfemicrofibersexperimentalandmodelingapproaches AT hebayzahran effectofcuoandgrapheneonptfemicrofibersexperimentalandmodelingapproaches AT hananelhaes effectofcuoandgrapheneonptfemicrofibersexperimentalandmodelingapproaches AT islamgomaa effectofcuoandgrapheneonptfemicrofibersexperimentalandmodelingapproaches AT medhataibrahim effectofcuoandgrapheneonptfemicrofibersexperimentalandmodelingapproaches |