Jaber Jahanbin Sardroodi
1 Molecular Simulation laboratory (MSL), Azarbaijan Shahid Madani University, Tabriz, Iran 2 Computational Nanomaterials Research Group (CNRG), Azarbaijan Shahid Madani University Tabriz, Iran 3 Department of Chemistry, Faculty of Basic Sciences, Azarbaijan Shahid Madani University Tabriz, Iran
[ 1 ] - Computational studies on the interaction of vitamin C (ascorbic acid) with nitrogen modified TiO2 anatase nanoparticles
Density functional theory calculations were performed to investigate vitamin C interaction withN-doped TiO2 anatase nanoparticles. The adsorption of vitamin C on the energy favorable fivefoldcoordinated titanium sites was investigated. Various adsorption geometries of vitamin C towardsthe nanoparticle were examined. Since the adsorption energies of N-doped nanoparticles are higherthan those of ...
نویسندگان همکار