Covalent attachment of a peptide to the surface of gallium nitride
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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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