Articles
  • Color-tunable nanopigments of ZnSxSe1−x: Preparation, optical properties, and first-principles evaluation

  • Ti Zhangb,c, Yanmin Wanga,*, Shanjun Keb,c,* and Zhidong Pana

  • aSouth China University of Technology, Guangzhou 510640, China
    bFoshan Oceano Ceramics Co. Ltd., Foshan 528138, China
    cGuangxi Oceano Ceramics Co. Ltd., Wuzhou 543300, China

  • This article is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/4.0) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

In this work, the effects of the crystalline structure and charge state distribution on the bandgap, dominant wavelength, and optical properties of ZnSxSe1−x color-tunable nanopigments were investigated for the first time. The first-principles calculation results of ZnSxSe1−x pigment based on density functional theory demonstrate that ZnSxSe1−x becomes a material with an adjustable optical bandgap due to the similarity of S and Se. Furthermore, the ZnSxSe1−x pigment color gradually changed from ivory white to bright yellow with increasing anion composition of x = [S]/([S] + [Se]), thereby obtaining tunable colors and optical properties to meet visual and aesthetic requirements.


Keywords: ZnSxSe1−x, Optical properties, Kubelka-Munk theory, First-principles evaluation.

This Article

  • 2024; 25(4): 617-623

    Published on Aug 31, 2024

  • 10.36410/jcpr.2024.25.4.617
  • Received on Mar 29, 2024
  • Revised on Jul 13, 2024
  • Accepted on Jul 31, 2024

Correspondence to

  • Yanmin Wang a, Shanjun Ke b,c

  • aSouth China University of Technology, Guangzhou 510640, China
    bFoshan Oceano Ceramics Co. Ltd., Foshan 528138, China
    cGuangxi Oceano Ceramics Co. Ltd., Wuzhou 543300, China
    Tel : +86 20 87114883 Fax: +86 20 87110273

  • E-mail: wangym@scut.edu.cn (Y. Wang), sjkescut@163.com (S.