Effect of Solvent on the Luminescence Properties of Zn3V2O8 and the First Principle Calculation of α- Zn3V2O8

1st International Conference on Frontiers of Materials Synthesis and Processing

材料科学;化学

Luo, Jiaolian^1,2 ; Chen, Ruxue^1 ; Zhang, Xiaoming^1,3

Special and Key Laboratory of Guizhou Provincial Higher Education for Green Energy-Saving Materials, Guiyang

550025, China^1

School of Materials Science and Engineering, Guizhou Minzu University, Guiyang

550025, China^2

College of Big Data and Information Engineering, Guizhou University, Guiyang

550025, China^3

关键词: Crystal morphologies;    Effect of solvents;    Electronic structure and optical properties;    Emission spectrums;    Excitation spectrum;    First principle calculations;    Luminescence properties;    Luminescent property;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/274/1/012145/pdf
DOI  :  10.1088/1757-899X/274/1/012145

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

In this paper, Zn3V2O8phosphors were synthesized by high temperature solid method. The effect of flux on the luminescent properties was studied. And based on the first-principles planar wave super-soft pseudo potential method of density functional theory (DFT), the α-Zn3V2O8crystal model was used to calculate the electronic structure and optical properties of the model. The results show that the crystal morphology of the sample is improved, the grain agglomeration is reduced and the crystal structure isn't changed. The excitation spectrum ranges from 300-400nm, the excitation peak is at 360nm, and the emission spectrum is in the range of 420-690 nm, the peak at 550 nm. α-Zn3V2O8is an indirect band gap, α-Zn3V2O8has a band gap of 2.715eV, α-Zn3V2O8has a strong UV-near ultraviolet light absorption capacity.