Analysis of Structural, Electrical and Electronic Properties of (Polymer Nanocomposites/ Silicon Carbide) for Antibacterial Application

被引:55
作者
Ahmed, Hind [1 ]
Hashim, Ahmed [1 ]
Abduljalil, Hayder M. [2 ]
机构
[1] Univ Babylon, Dept Phys, Coll Educ Pure Sci, Babylon, Iraq
[2] Univ Babylon, Dept Phys, Coll Sci, Babylon, Iraq
来源
EGYPTIAN JOURNAL OF CHEMISTRY | 2019年 / 62卷 / 04期
关键词
Transition metals; Density functional theory; Activation energy; Antibacterial; OPTICAL-PROPERTIES; MGO; NANOPARTICLES;
D O I
10.21608/EJCHEM.2019.6241.1522
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
THE structural, electronic and D.C electrical properties of (PVA-MgO-SiC) nanocomposites for antibacterial application have been investigated. The prepared nanocomposites have low cost, flexible and high antibacterial activity. The (PVA-MgO-SiC), nanocomposites were prepared with different weight percentages of Silicon Carbide (SiC) nanoparticles. Electrical properties of (PVA-MgO-SiC) nanocomposites were studied with different temperature. The experimental results showed that the conductivity of (PVA-MgO-SiC), nanocomposites is increased with increase the concentration of Silicon Carbide (SiC) nanoparticles. The activation energy of (PVA-MgO-SiC) nanocomposites decreases with increase the weight percentages of Silicon Carbide nanoparticles. The total energies of the (PVA-MgO-SiC) nanocomposites were studied by using Gaussian 09 (G09) program and density functional theory (DFT) with B3LYP/6-31G) basis set. The total energies decreases with the increase the number of atoms forming the nanocomposites.
引用
收藏
页码:1167 / 1176
页数:10
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