Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 120, Issue 1, Pages 569-580Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.5b10355
Keywords
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Funding
- National Natural Science Foundation of China [21171176, U1232108, U1432249, 11204393]
- Guangzhou Science and Technology Project [2013Y2-00118]
- Science and Technology Project of Guangdong Province [2013B010403010]
- Natural Science Foundation Project of Chongqing [CSTC2014JCYJA50034]
- National Training Program of Innovation and Entrepreneurship for Undergraduates [201410617001]
- National Recruitment Program of High-end Foreign Experts [GDW20145200225]
- Program for the Foreign Experts by Chongqing University of Posts and Telecommunications
- European Regional Development Fund (Center of Excellence 'Mesosystems: Theory and Applications') [TK114]
- Marie Curie Initial Training Network LUMINET [316906]
- Ministry of Education and Research of Estonia [PUT430]
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A series of Sr1-2xCexNaxB2Si2O8 and Ba1-2xCexKxB2Si2O8 (x = 0.005, 0.01, 0.02, 0.04, 0.06, 0.08) samples were synthesized by a high-temperature solid-state reaction. The low temperature excitation, emission, and fluorescence decay spectra together demonstrated that all spectral bands arise from the Ce3+ ions located at only one kind of lattice site. The first-principles calculations of the structural and electronic properties of pure and Ce3+-doped MB2Si2O8 (M = Sr, Ba) were performed, and the obtained results were used for understanding the structural changes after doping and identification of the observed position of the host absorption bands. The measured 4f-5d excitation and emission spectra of Ce3+ ions doped in MB2Si2O8 were analyzed and simulated in the framework of the crystal-field (CF) theory. The electron-phonon coupling effect generally ignored in most studies published so far was also taken into account by applying the configurational coordinate model. The validity of such a combined insight into the 5d CF energy level positions and the Stokes shift has been confirmed by analyzing the dependence of the Ce3+ spectroscopic properties on the dopant concentration. In addition, the influence of temperature on the luminescent properties of the studied samples was also explored and is discussed.
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