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合肥工业大学 材料科学与工程学院, 安徽 合肥 230009
Received:16 June 2022,
Revised:04 July 2022,
Published:05 December 2022
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屈冰雁,王雷.3d过渡金属离子在无机化合物中的基态能级及变价趋势理论探索[J].发光学报,2022,43(12):1815-1822.
QU Bing-yan,WANG Lei.Theoretical Research on Ground State of 3d Transition Metal Ions in Inorganic Compounds and Their Charge Transition Tendencies[J].Chinese Journal of Luminescence,2022,43(12):1815-1822.
屈冰雁,王雷.3d过渡金属离子在无机化合物中的基态能级及变价趋势理论探索[J].发光学报,2022,43(12):1815-1822. DOI: 10.37188/CJL.20220222.
QU Bing-yan,WANG Lei.Theoretical Research on Ground State of 3d Transition Metal Ions in Inorganic Compounds and Their Charge Transition Tendencies[J].Chinese Journal of Luminescence,2022,43(12):1815-1822. DOI: 10.37188/CJL.20220222.
3d过渡金属(3d⁃TM, Transition metal,原子序数21~30)离子在无机发光材料领域展示了广阔的应用前景。通常,3d⁃TM离子在化合物中容易变价且其基态位置难以确定,这成为当前3d⁃TM离子激活发光材料智能设计的难点。本文综述了3d⁃TM离子在无机化合物中的光谱数据和第一性原理计算的光学转变能级,总结了3d-TM离子基态在无机化合物中的演化规律,给出了3d⁃TM离子在化合物中的变价趋势和物理本质。最后, 结合以上电子结构信息,对3d⁃TM离子激活发光材料的设计方式进行了展望。
3d transition metal(3d-TM) activated phosphors exhibit great potential applications in relevant fields. Generally, how to determine the ground state position of 3d-TM ion and engineer their valence state is significantly important in designing phosphor with target properties. This article reviews the spectroscopic data and optical transition levels of 3d-TM activated phosphors. Combining with the first-principle calculations, the evolution principle of the 3d-TM ground state in compounds is summarized. The charge transition tendencies and their theoretical understanding is revealed. Finally, the future design methods are prospected with above principles.
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