Yahia Magdy Abdallah

@azhar.edu,eg

Theoretical Physics/ Physics Department / Faculty of Science
Al-Azhar University



           

https://researchid.co/yahia02

RESEARCH, TEACHING, or OTHER INTERESTS

Atomic and Molecular Physics, and Optics

2

Scopus Publications

Scopus Publications

  • Design and implementation of PLA/GO/metal oxide composites for CO<inf>2</inf> sensing application
    Khaled S. Amin, Mohamed M. Yassin, Yahia M. Abdallah, Yusuf M. Alsayyad, Ahmed F. Mabied, Hanan Elhaes, and Medhat A. Ibrahim
    Springer Science and Business Media LLC
    Abstract This study investigates the modification of polylactic acid (PLA) by the incorporation of graphene oxide (GO) and metal oxides (ZnO and CuO), with the aim of developing efficient CO₂ sensors. Key properties, including total dipole moment (TDM), energy gap (ΔE), molecular electrostatic potential (MESP), and density of states (DOS), were calculated using density functional theory (DFT) to gain insight into the interactions between the composites and CO₂ gas. Experimental techniques such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and optical confocal microscopy were used to validate the material composition and bonding mechanisms. The analysis revealed the presence of SiO₂ impurities in the PLA matrix, which could potentially affect the sensing behavior of the composite. The composites demonstrated effective CO₂ sensing capabilities in experimental tests. This combined theoretical and experimental approach demonstrates that PLA/GO/metal oxide composites offer significant potential for sustainable CO₂ sensing, contributing to air quality monitoring and greenhouse gas regulation.

  • Application of PLA/GO/ZnO and PLA/GO/Cu<inf>2</inf>O as sensor
    Khaled S. Amin, Mohamed M. Yassin, Yahia M. Abdallah, Yusuf M. Alsayyad, Hanan Elhaes, and Medhat A. Ibrahim
    Springer Science and Business Media LLC
    AbstractPolylactic acid modified with graphene oxide (PLA/GO) is proposed to interact with ZnO through 6 different schemes. Density functional theory at B3LYP/LANL2DZ level was utilized to calculate total dipole moment (TDM), HOMO/LUMO energy gap (ΔE) and to map the molecular electrostatic potential (MESP). Results indicated that PLA/GO interacted with ZnO through O-atom forming PLA/GO/OZn composite. This composite interacts with methane, hydrogen sulfide, humidity (H2O), carbon dioxide and ethanol. The same gases were supposed to interact further with PLA/GO/Cu2O. Adsorption energy for the interaction between each composite and the proposed gases were calculated. Both PLA/GO/OZn and PLA/GO/Cu2O composites interacted favorably with H2O. Adsorption energy for interaction of other gases with studied structures are generally low compared to H2O. PLA/GO/OZn have adsorption energy slightly higher than that of PLA/GO/Cu2O. PLA/GO/OZn has higher TDM values than those of PLA/GO/Cu2O, indicating a more polar material. Conversely, PLA/GO/Cu2O exhibited larger ΔE values than those of PLA/GO/OZn. TDM and energy gap results for both studied structures indicated good sensing capabilities. Further insights come from analyzing the calculated density of states (DOS) and partial density of states (PDOS). PLA/GO/Cu2O exhibited high peak for copper in its DOS and PDOS spectra compared to zinc and oxygen in case of PLA/GO/OZn. This means a higher density of available electronic states associated with Cu.