تصفح Chemistry & Earth Sciences حسب المؤلف "Al-Hashimi, N."
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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 ... -
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 ...