A study of the optical band gap of zinc phthalocyanine nanoparticles using UV-Vis spectroscopy and DFT function

被引：72

作者：

Hamam, Khalil J. ^{[1
]}

Alomari, Mohammed I. ^{[2
]}

机构：

[1] Tafila Tech Univ, Fac Sci, Appl Phys Dept, POB 179, Tafila 66110, Jordan

[2] Tafila Tech Univ, Fac Sci, Dept Chem & Chem Technol, POB 179, Tafila 66110, Jordan

来源：

APPLIED NANOSCIENCE | 2017年 / 7卷 / 05期

关键词：

Zinc phthalocyanine; Nanoparticles; Band gap energy; Density functional theory (DFT); ORGANIC SEMICONDUCTOR; PHOTODYNAMIC THERAPY; QUANTUM DOTS; NANOCRYSTALS; HETEROJUNCTION; SUPERLATTICES; POLYMER; FILMS;

D O I：

10.1007/s13204-017-0568-9

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

In the present work, we used the ultraviolet-Visible (UV-Vis) spectroscopy technique to find the optical band gap of zinc phthalocyanine nanoparticles (ZnPcNP) experimentally. Moreover, we used a time-dependent density functional theory (TDDFT) to simulate the UV-Vis absorption spectrum of ZnPc molecule in gas and solution phases. The ZnPc-NP absorption spectrum shows a shift toward higher energies compared to the bulk ZnPc. The simulated UV-Vis and the experimental nanoparticle's spectrum were found to have a good agreement. The ZnPc energy band gap from the DFT calculations shows how it's possible to get wider range of energy band gap for the ZnPc. The ZnPc-NP's size and shape were examined using the transmission electron microscope (TEM).

引用

页码：261 / 268

页数：8

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