大专题——荧光粉中电荷转移和价态变化

Empirical rules研究稀土离子对(MMCT)

Empirical rules that aspire to predict the properties of lanthanide pairs are popular; yet, their accuracy is low and physical foundation is questionable, partly because they only account for electronic energies and ignore vibrational effects and geometrical changes during the electron transfer. Improved models and accurate theory are, hence, required. [Jonas-JCP-2021]

参考文献:
(1) P. Dorenbos, “Modeling the chemical shift of lanthanide 4f electron binding energies,” Phys. Rev. B 85, 165107 (2012)
(2) P. Dorenbos, “A review on how lanthanide impurity levels change with Chemistry and structure of inorganic compounds,” ECS J. Solid State Sci. Technol. 2, R3001 (2013).
(3) P. Dorenbos, A. J. J. Bos, N. R. J. Poolton, and F. You, “Photon controlled electron juggling between lanthanides in compounds,” J. Lumin. 133, 45–50 (2013).

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