Adsorption of Aromatic Amino Acids on Gallium Nitride Nanotubes - A Computational ONIOM Investigation
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چکیده
منابع مشابه
A computational study of Nitramide adsorption on the surface of pristine and Ni functionalized (4,4) armchair Gallium nitride nanotubes
By using the density function theory (DFT) the adsorption of nitramine (NH2NO2) molecule on the surface of pristine and Ni functionalized of Gallium nitride nanotube (GaNNTs) is investigated. The adsorption energy of NH2NO2 molecule on the surface of pristine and Ni functionalized GaNNTs is in range ‒6.59 to ‒48.16 Kcal/mol and is physisorption type. The ∆E and ∆H values of the all adsorption m...
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ژورنال
عنوان ژورنال: International Journal of Innovative Science and Research Technology
سال: 2020
ISSN: 2456-2165
DOI: 10.38124/ijisrt20aug198