Тип публикации: статья из журнала

Год издания: 2022

Идентификатор DOI: 10.1016/j.cej.2022.137271

Ключевые слова: crystal field, density functional theory, luminescence, phosphor, site occupation, x-ray absorption fine structure

Аннотация: The luminescent properties of phosphors are determined by the electronic configuration of their activators and the crystal environment in which they are embedded. By manipulating the site-selective occupancy of activators, we can coordinately control the local crystal field and electron cloud distribution to master the movement of Показать полностьюemission wavelength and obtain a color-tunable phosphor. The system of β-Ca3(PO4)2 is an excellent carrier for crystal-site engineering to modify luminescent performance. It has five distinct crystal sites and a strong photoluminescence response. However, due to low doping concentration and structural complexity, the specific occupation of Ce remains unknown. We discussed the specific position of Ce in this study and proposed a novel activators lattice migration strategy for controlling the relative strength of crystal field splitting (CFS) and the nephelauxetic effect (NE) to control luminescence properties. By combining X-ray Absorption Fine Structure (XAFS) with DFT calculation, we predicted the local environment of each crystal lattice and migrated Ce3+ from M(3) to a strengthened crystal field site with a lower coordination number, shorter bonding bond length, and greater polyhedral distortion, M(5), resulting in phosphors with tunable luminescence emission. Relevant parameters ΔD(Ce3+) were identified for dealing with interference caused by the electronegativity difference during a structural modification. Some potential applications emerged as a supplement and an intriguing QR-code and response program for epidemic prevention were demonstrated. This structure–activity relationship-based strategy provides new inspiration for designing luminescent materials with tunable emission and a broader range of applications. © 2022 Elsevier B.V.

Журнал: Chemical Engineering Journal

Выпуск журнала: Vol. 446

Номера страниц: 137271

ISSN журнала: 13858947

Издатель: Elsevier B.V.

• Pan X. (Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Sciences and Technology, China University of Geosciences, Beijing, 100083, China, State Key Laboratory of Physical Chemistry of Solid Surface, Fujian Provincial Key Laboratory of Materials Genome and College of Materials, Xiamen University, Xiamen, 361005, China)
• Mei L. (Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Sciences and Technology, China University of Geosciences, Beijing, 100083, China)
• Wang Y. (Key Laboratory for Special Function Materials and Structural Design of the Ministry of Education, School of Physical Science and Technology, Lanzhou University, Lanzhou, 730000, China)
• Seto T. (Key Laboratory for Special Function Materials and Structural Design of the Ministry of Education, School of Physical Science and Technology, Lanzhou University, Lanzhou, 730000, China)
• Zhuang Y. (State Key Laboratory of Physical Chemistry of Solid Surface, Fujian Provincial Key Laboratory of Materials Genome and College of Materials, Xiamen University, Xiamen, 361005, China)
• Guo Q. (School of Gemology, China University of Geosciences, Beijing, 100083, China)
• Plyaskin M. (Center for Electron Microscopy, TUT-FEI Joint Laboratory, Tianjin Key Laboratory of Advanced Porous Functional Materials, Institute for New Energy Materials & LowCarbon Technologies, School of Materials Science and Engineering, Tianjin University of Technology, Tianjin, 300384, China)
• Xi W. (Department of Engineering Physics and Radioelectronic, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
• Li C. (Department of Engineering Physics and Radioelectronic, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
• Guo Y. (School of Mechanical Engineering, Xiangtan University, Xiangtan, 411105, China)
• Liao L. (Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Sciences and Technology, China University of Geosciences, Beijing, 100083, China)

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