Browsing by Author "Al-Hashimi, N."
Now showing items 1-5 of 5
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Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical
Abdel-Rahman M.A.; El-Gogary T.M.; Al-Hashimi N.; Shibl M.F.; Yoshizawa K.; El-Nahas A.M.... more authors ... less authors ( Nature Publishing Group , 2019 , Article)In this work, a theoretical investigation of thermochemistry and kinetics of the oxidation of bifunctional 2-Methoxyethanol (2ME) biofuel using methyl radical was introduced. Potential-energy surface for various channels ... -
Role of doping and sheet size in tailoring optoelectronic properties of germanene: A TDDFT study
Bhandari A.S.; Hassan W.M.I.; Al-Hashimi N.; Shibl M.F.; Patil S.R.; Verma A.... more authors ... less authors ( John Wiley and Sons Inc. , 2018 , Article)Germanene is a novel 2D material with promising optoelectronic properties, tuning of which is to be explored. This work demonstrates that doping and increasing the sheet size can alter optical and electronic properties of ... -
Smart Synthesis of Trimethyl Ethoxysilane (TMS) Functionalized Core–Shell Magnetic Nanosorbents Fe3O4@SiO2: Process Optimization and Application for Extraction of Pesticides
Al-Saad K.; Issa A.A.; Idoudi S.; Shomar B.; Al-Ghouti M.A.; Al-Hashimi N.; El-Azazy M.... more authors ... less authors ( MDPI AG , 2020 , Article)In the current study, a smart approach for synthesizing trimethyl ethoxysilane–decorated magnetic-core silica-nanoparticles (TMS-mcSNPs) and its effectiveness as nanosorbents have been exploited. While the magnetite core ... -
TDDFT studies on effects of the size on optoelectronic properties of 2D germanene sheets
Bhandari, A.; Alfalah, S.; Hassan, W.M.I.; Al-Hashimi, N.; Patil, S.; Nekovei, R.; Verma, A.... more authors ... less authors ( Institute of Electrical and Electronics Engineers Inc. , 2017 , Conference Paper)We report on the TDDFT calculations of the effect of the size on the optoelectronic properties of germanene sheets. Five structures of germanene were considered. All structures were optimized and their electronic and optical ... -
Thermochemistry and Kinetics of the Thermal Degradation of 2-Methoxyethanol as Possible Biofuel Additives
Abdel-Rahman M.A.; Al-Hashimi N.; Shibl M.F.; Yoshizawa K.; El-Nahas A.M. ( Nature Publishing Group , 2019 , Article)Oxygenated organic compounds derived from biomass (biofuel) are a promising alternative renewable energy resource. Alcohols are widely used as biofuels, but studies on bifunctional alcohols are still limited. This work ...