Article
Chemistry, Physical
Zeineb Chorfi, Djouhra Aggoun, Selma Houchi, Zakia Messasma, Mostafa S. Abd El-Maksoud, Marta Fernandez-Garcia, Daniel Lopez, Chawki Bensouici, Ali Ourari, Yasmina Ouennoughi
Summary: The Ni(II) complex was successfully synthesized and characterized using various techniques such as elemental analysis, spectroscopic studies, thermal analysis, X-ray powder diffraction, and morphological measurements. The redox properties of the complex were investigated using cyclic voltammetry, and the structure was determined using density functional theory calculations. The complex exhibited a strong tyrosinase inhibitory activity in vitro.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Engineering, Multidisciplinary
Zein K. Heiba, Mohamed Bakr Mohamed, Sameh. I. Ahmed
Summary: Nano gadolinium oxide doped polyvinyl alcohol/polyethylene glycol blend was prepared and its structural, thermal, and optical properties were investigated. The doping of nano Gd2O3 affected the melting temperature and degradation temperature of the blend, as well as its optical characteristics.
ALEXANDRIA ENGINEERING JOURNAL
(2022)
Review
Materials Science, Composites
K. Meera, M. T. Ramesan
Summary: Researchers have shown great interest in biopolymer blend based nanocomposites for the development of environmentally friendly advanced composite functional materials. Polyvinyl alcohol (PVA) and polyvinyl pyrrolidone (PVP) are widely studied biopolymers due to their water solubility, biodegradability, biocompatibility, and non-toxicity. The addition of metal oxide nanoparticles (MONPs) improves the properties of PVA/PVP blend matrix, leading to the development of multifunctional PVA/PVP/MONP polymer nanocomposites. This review focuses on the influence of various MONPs on the structural, morphological, thermal, optical, and electrical properties of PVA/PVP blend, as well as their applications in various fields.
JOURNAL OF THERMOPLASTIC COMPOSITE MATERIALS
(2023)
Article
Thermodynamics
T. Aguilar, I Carrillo-Berdugo, P. Martinez-Merino, A. Yasinskiy, M. Rodriguez-Fernandez, J. Navas
Summary: Nanofluids, prepared with TiO2 nanoparticles, showed significant improvements in thermophysical properties like specific heat and thermal conductivity, making them suitable for heat transfer applications in CSP plants.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Chemistry, Inorganic & Nuclear
V. D. Zhuravlev, O. N. Leonidova, I. A. Leonidov, A. P. Tyutyunnik, A. Yu. Chufarov, T. A. Patrusheva, R. F. Samigullina
Summary: The polycrystalline samples of BaNi2(V1-xPxO4)2 (x = 0-1) were synthesized via a solution combustion synthesis. The substitution of vanadium (5+) cations by smaller phosphorus (5+) cations leads to compression of the [Ni2(V1-xPxO4)2]infinity layers in the ab plane and elongation of the BaO12 polyhedra along the c axis. The melting point of the samples increases with increasing phosphorus concentration. The electrical conductivity of BaNi2(V1-xPxO4)2 is measured and electron transfer is explained by the formation of Ni3+ along the Ni-O-Ni chains.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Belal Salah, Ahmad I. Ayesh
Summary: This study produced composite polymer membranes of PVA and Fe3O4 nanoparticles through coprecipitation technique. The size and shape of nanoparticles were investigated using SEM, while Raman spectroscopy and FTIR were utilized to study the structure and vibration modes of the membranes. TGA and DSC demonstrated the thermal stability and crystallinity of the membranes.
Article
Chemistry, Physical
Hind Ahmed, Ahmed Hashim
Summary: In this study, the effect of increasing the number of atoms on the geometric, electronic, and spectral properties of the PVA-CoO-SiC structure was investigated using density functional theory. The results showed a direct impact on all properties of the structure with an increase in the number of atoms, indicating that PVA-CoO-SiC can be used for various modern applications.
Article
Chemistry, Inorganic & Nuclear
Jelena Zagorac, Dejan Zagorac, Biljana Babic, Tatiana Prikhna, Branko Matovic
Summary: This study investigated the electronic properties of boron nitride (BN) with aluminum addition and discovered novel structures in Al-rich boron nitride compounds. The results suggest that adding aluminum can provide a great diversity of electronic properties and fine-tuning of the band gap in boron nitride electroceramics.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Physics, Condensed Matter
A. M. A. Shamekh, N. M. Shaalan, T. A. Hanafy, M. Rashad
Summary: The structural features of PVA/MgO nanocomposite films with varying MgO concentrations were investigated using XRD and Raman spectra. XRD spectra showed a decrease in PVA crystallinity with the addition of 1 wt% MgO and an increase with higher MgO concentrations. Raman spectra and the increase in width of localized states Ee suggested the formation of structural disorders and defects at the grain boundaries. The optical properties of the films were evaluated and found to be dependent on MgO wt%, providing guidance for tuning the optical properties of flexible optoelectronic devices.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Chemistry, Physical
Hind Ahmed, Ahmed Hashim
Summary: The study investigated the electronic properties and optimized geometry of (PVA-PEO-SiC)(56Atom) using DFT, showing excellent optical and electronic properties with low energy band gap suitable for various optoelectronics applications.
Article
Polymer Science
Sajid Naseem, Sven Wiessner, Ines Kuehnert, Andreas Leuteritz
Summary: This study analyzed the thermal degradation and mechanical properties of iron (Fe)-containing MgAl layered double hydroxide (LDH)-based polypropylene (PP) nanocomposites. Experiments showed that increasing the iron (Fe) content led to a decrease in melt viscosity, an increase in burning rate, and a decrease in mechanical properties in LDH/PP nanocomposites.
Article
Energy & Fuels
Teresa Aguilar, Ivan Carrillo-Berdugo, Rodrigo Alcantara, Javier Navas
Summary: The study confirmed the potential application of CuFe2O4-based nanofluids as heat transfer fluids in CSP plants, showing that higher thermal conductivity can be achieved in nanofluids with high concentration of nanoparticles and surfactants, resulting in up to 35% efficiency improvement.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Construction & Building Technology
Shun Yao, Chuanlin Hu, Fazhou Wang, Shuguang Hu
Summary: This study proposes a method to improve the interfacial properties of poly vinyl alcohol (PVA) fiber and cementitious matrix by designing graphene oxide (GO) modified PVA fiber. It is found that the interaction between GO and PVA fiber forms hydrogen bond, enabling GO to tightly bond to the surface of PVA fiber. The oxygen-containing functional groups of GO can also form chemical bond with the hydration products and promote the formation of denser microstructure at the interface.
CONSTRUCTION AND BUILDING MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
N. M. Shaalan, T. A. Hanafy, M. Rashad
Summary: In this study, composites of functionalized polyvinyl alcohol were prepared with NiO nanoparticles, and the crystal structure analysis and optical properties of the functionalized PVA were well studied. The addition of nanoparticles influenced the structure of PVA films, leading to changes in optical properties with increasing NiO content. The dual optical properties of the composites showed features of both PVA and dopant materials, with the appearance of a lower energy indirect band gap at higher NiO concentrations.
Article
Biochemistry & Molecular Biology
Nidhi Pal, Somesh Banerjee, Partha Roy, Kaushik Pal
Summary: A hybrid biodegradable nanocomposite was fabricated by reinforcing CNC, rGO and Ag nanoparticles into a PVA polymer matrix, resulting in improved mechanical properties, sustained antibacterial release, and non-toxicity towards cells. The combination of CNC, rGO, and Ag showed potential for applications in tissue engineering and packaging.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Engineering, Electrical & Electronic
Amina Omar, Rania Badry, Maroof A. Hegazy, Ibrahim S. Yahia, Hanan Elhaes, Heba Y. Zahran, Medhat A. Ibrahim, Ahmed Refaat
Summary: The solution casting method was used to synthesize various nanocomposite films, and the influence of fillers on optical properties was studied, revealing a decrease in optical band gap with increasing filler content, accompanied by a redshift phenomenon. These nanocomposites were recommended for optoelectronic devices.
OPTICAL AND QUANTUM ELECTRONICS
(2022)
Article
Engineering, Electrical & Electronic
Mohamed A. M. El-Mansy, Ahmed M. M. Bayoumy, Hanan Elhaes, Medhat A. A. Ibrahim
Summary: DFT was used to examine the electrical, vibrational, and optical properties of unadorned and decorated fullerenes. The results showed that C-60-2Li could compete with current solar cells and C-60-2NH2 could be a potential bioactive substrate for drug delivery based on QSAR values.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Engineering, Electrical & Electronic
Rania Badry, Asmaa Ibrahim, Fatma Gamal, Hanan Elhaes, Ibrahim S. S. Yahia, Heba Y. Y. Zahran, Mohamed Zahran, Mohamed Sh. Abdel-wahab, Samer H. H. Zyoud, Medhat A. A. Ibrahim
Summary: Polyvinyl Alcohol (PVA) can be enhanced in its electronic properties by incorporating metal oxides and functional groups, allowing its utilization in various applications based on its electrical properties. This research employs density functional theory at the M062x/6-311 + G(2d, p) level to model the functionalization of PVA. The study investigates the binding of five molecules with different functional groups, such as hydroxyl group (OH), carboxyl group (COOH), cyanide (CN), amino group (NH2), and graphene quantum dots (GQDs), to the surface of PVA. Results show a shift in the overall dipole moment and HOMO/LUMO bandgap energy, as well as an increased possibility of hydrogen bonding with the surroundings. The fluctuating physical properties of the PVA surface make it suitable for diverse applications. Finally, the research suggests the application of the proposed model of PVA functionalized with GQDs as a gas sensor.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Multidisciplinary Sciences
Rania Badry, Mahmoud M. El-Nahass, Nadra Nada, Hanan Elhaes, Medhat A. Ibrahim
Summary: Nanoparticles were added to a solution of carboxymethyl cellulose to create polymer nanocomposite filters with enhanced UV-blocking properties. The addition of copper oxide nanoparticles greatly improved the UV-blocking performance of the films, extending from the UV region to the visible region. The tunable optical characteristics of the nanocomposite can be utilized in various applications, such as UV-blocking filters and optoelectronics devices.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Dong Li, Kaixuan Wang, Jiahong Tang, Yizhou Zhao, Hanan Elhaes, Muhammad Tahir, Medhat A. Ibrahim, Yujing Li
Summary: A series of 2D BA2MAn-1PbnBr3n+1 perovskite nanosheets were synthesized via a facile, ligand-free precipitation method. The 2D perovskite nanosheets were found to effectively generate photosensitized singlet oxygen (1O2) through energy transfer from triplet excitons to molecular oxygen. The as-prepared BA2PbBr4 and BA2MAPb2Br7 nanosheets successfully catalyzed the ENE reaction and 1,2-addition reaction between olefin and singlet oxygen. This study is expected to develop and demonstrate new mechanisms for 2D halide perovskite materials in photodynamic therapy and photocatalytic applications.
APPLIED SURFACE SCIENCE
(2023)
Article
Engineering, Electrical & Electronic
Amina Omar, Islam Gomaa, Omar A. A. Mohamed, Hager Magdy, Hassan Saeed Kalloub, Mohamed H. H. Hamza, Tarek M. M. Mohamed, Maisara M. M. Rabee, Nada Tareq, Haity Hesham, Tamer Abdallah, Hanan Elhaes, Medhat A. A. Ibrahim
Summary: Synergistic doping of 2-D Material ZnO nanosheets and reduced graphene oxide (rGO) of Polyvinylidene fluoride (PVDF), PVDF/ZnO, and PVDF/ZnO/rGO Hybrid membranes were prepared by solution casting technique to increase the beta-phase ratio. Rietveld refinement X-ray diffraction technique, FTIR, Microscopic investigation, SEM, and density-functional theory (DFT) calculations were used to analyze the atomistic origin of negative piezoelectricity and the reasons for the enhancement of total dipole moment, electrostatic potential, and bandgap energy in the PVDF hybrid membranes, which were attributed to the displacive instability of two-dimensional material coupled with its reduced lattice dimensionality.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Multidisciplinary Sciences
Hend A. Ezzat, Maroof A. Hegazy, Rasha Ghoneim, Heba Y. Zahran, Ibrahim S. Yahia, Hanan Elhaes, Ahmed Refaat, Medhat A. Ibrahim
Summary: In this study, the surface modifications of polytetrafluoroethylene (PTFE) with metal oxides (MOs) were modeled using density functional theory (DFT). The results showed that modifying PTFE with ZnO and SiO2 can enhance its electrical and thermal stability, making it suitable for use as a self-cleaning layer for astronaut suits.
SCIENTIFIC REPORTS
(2023)
Article
Engineering, Electrical & Electronic
Hanan Elhaes, Ahmed I. Abdel-Salam, Islam Gomaa, Asmaa Ibrahim, Ibrahim S. Yahia, Heba Y. Zahran, Hend A. Ezzat, Mohamed Zahran, Mohamed Sh. Abdel-wahab, Ahmed Refaat, Medhat A. Ibrahim
Summary: The hydrothermal method was used to prepare Mn2O3 nanoparticles, which were homogeneously combined with rGO through sonication. Characterization techniques such as UV-Vis spectroscopy, FTIR, and XRD confirmed the formation of the nanocomposite. FESEM showed the uniform distribution of Mn2O3 on the surface of rGO. Furthermore, molecular quantum mechanical calculations revealed that the most active and plausible structure involved the interaction between rGO and Mn2O3 through the terminal OH group and Mn atom.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Multidisciplinary Sciences
Taha M. Tiama, Hanan Elhaes, Medhat A. Ibrahim, Ahmed Refaat, Mohamed A. M. El-Mansy, Noha M. Sabry
Summary: Bioactive glass (BG) was prepared by sol-gel method and studied with FTIR and antibacterial test. Modeling data calculated important parameters such as total dipole moment, HOMO/LUMO band gap energy, and molecular electrostatic potential. The addition of SiO2 center dot CaO enhanced the vibrational characteristics of P4O10, while ZnO significantly impacted the vibrational characteristics. ZnO-doped BG showed the highest antibacterial activity, consistent with the molecular modeling calculations.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Applied
Rania Badry, Maroof A. Hegazy, Ibrahim S. Yahia, Hanan Elhaes, Heba Y. Zahran, Medhat A. Ibrahim
Summary: In this study, PVA-based nanocomposites were synthesized using the conventional casting method, incorporating zinc oxide nanoparticles and graphene oxide. The optical properties of the synthesized nanocomposites were characterized, showing improved absorption and reduced optical band gap with the addition of nanofillers.
BIOINTERFACE RESEARCH IN APPLIED CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Rania Badry, Nadra Nada, Mahmoud M. El-Nahass, Hanan Elhaes, Medhat A. Ibrahim
Summary: This study investigated the sensitivity of carboxymethyl cellulose sodium (CMC) nanocomposites to ammonia, hydrogen sulphide, and hydrogen bromide gases. The results showed that the interaction between CMC and ZnO molecules increased the sensitivity, making the CMC/ZnO structure suitable for detecting NH3, H2S, and HBr gases.
EGYPTIAN JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Rania Badry, Maroof A. Hegazy, Ibrahim S. Yahia, Hanan Elhaes, Heba Y. Zahran, Ahmed Abdel-Salam, Hanan Matar, Medhat A. Ibrahim
Summary: Due to its biocompatibility, starch is an eco-friendly polymer that can be used in various applications. In this study, polymer nanocomposites based on starch, zinc oxide nanoparticles, and graphene oxide were synthesized and their optical properties were investigated. The results showed that starch has two optical band gaps and the addition of zinc oxide nanoparticles and graphene oxide can modify the band gaps of the nanocomposites.
EGYPTIAN JOURNAL OF CHEMISTRY
(2022)