The Eu-doped SiO2-B2O3-NaF glass was prepared by sol-gel process, using tetraethoxy Silicane, boric acid and sodium fluoride as starting materials, 0.10 mol·L-1 EuCl3 solution as the dopant. The luminescent prope...The Eu-doped SiO2-B2O3-NaF glass was prepared by sol-gel process, using tetraethoxy Silicane, boric acid and sodium fluoride as starting materials, 0.10 mol·L-1 EuCl3 solution as the dopant. The luminescent properties of Eu3+ doped SiO2-B2O3-NaF phosphors were investigated. The phosphors showed prominent luminescence in pink, the strong emission of Eu3+ comes from electronic transition of 5D0-7F1(591 nm)and 5D0-7F2(615 nm),which derived from two transition modes of magnetic-dipole and electric-dipole .The peak intensity of 591nm in SiO2-B2O3-NaF matrix is much stronger than it in the other matrixes, it means that SiO2-B2O3-NaF has sensitization on the transition of 5D0-7F1 (Eu3+). If there are broad bonds in the range of 275~380 nm in the excitation spectrum of Eu3+ -doped SiO2-B2O3-NaF glass, the emission peak intensity should be intensified. It is because the electron migration CT band of O2--Eu3+. For all Eu3+ concentrations used, the investigation found that when the mass of fraction got to 29.19×10-3, the luminescence intensity reached the summit. And there is a phenomenon of concentration quenching. Investigation with the same concentration of Eu3+ at different annealed temperature, we found that the sample annealed at 400 ℃, the luminescence intensity achieved its maximum value, and Eu3+ in this matrix had a phenomenon of temperature quenching. The structural characterization of these luminescent materials was carried by used XRD and TEM. The result showed that the phosphor was in amorphous phase.展开更多
We report an ab initio〉/I〉 study of spectral properties of Ce^3＋ doped at Na＋ site of the NaF crys-tal, with the charge imbalance compensated by two oxygen substitutions for fluoride （OF＇） in the first coordina...We report an ab initio〉/I〉 study of spectral properties of Ce^3＋ doped at Na＋ site of the NaF crys-tal, with the charge imbalance compensated by two oxygen substitutions for fluoride （OF＇） in the first coordination shell or two sodium vacancies （VNa＇） in the second coordination sphere. Density functional theory calculations within the supercell model are first performed to op-timize the local structures of the charge-compensated Ce^3＋, based on which Ce-centered embedded clusters are constructed and wave function-based CASSCF/CASPT2/RASSI-SO calculations are carried out to obtain the energies of 4f1 and 5d1 levels. By comparing the calculated 4f→5d transition energies with experimental excitation spectra at low temper-atures, the lowest 4f→5d transition band peaked at 390 nm is assigned to the Ce^3＋ with charge compensation by two coordinating OF＇ substitutions, rather than to the Ce^3＋ with compensation by two VNa0 vacancies, as proposed earlier. The electronic reason for the large redshift （by -8000 cm-1） of the lowest 4f→5d transition as induced by the two nearby OF＇ substitutions is analyzed in terms of the changes in the centroid shift and crystal-field splitting.展开更多
文摘The Eu-doped SiO2-B2O3-NaF glass was prepared by sol-gel process, using tetraethoxy Silicane, boric acid and sodium fluoride as starting materials, 0.10 mol·L-1 EuCl3 solution as the dopant. The luminescent properties of Eu3+ doped SiO2-B2O3-NaF phosphors were investigated. The phosphors showed prominent luminescence in pink, the strong emission of Eu3+ comes from electronic transition of 5D0-7F1(591 nm)and 5D0-7F2(615 nm),which derived from two transition modes of magnetic-dipole and electric-dipole .The peak intensity of 591nm in SiO2-B2O3-NaF matrix is much stronger than it in the other matrixes, it means that SiO2-B2O3-NaF has sensitization on the transition of 5D0-7F1 (Eu3+). If there are broad bonds in the range of 275~380 nm in the excitation spectrum of Eu3+ -doped SiO2-B2O3-NaF glass, the emission peak intensity should be intensified. It is because the electron migration CT band of O2--Eu3+. For all Eu3+ concentrations used, the investigation found that when the mass of fraction got to 29.19×10-3, the luminescence intensity reached the summit. And there is a phenomenon of concentration quenching. Investigation with the same concentration of Eu3+ at different annealed temperature, we found that the sample annealed at 400 ℃, the luminescence intensity achieved its maximum value, and Eu3+ in this matrix had a phenomenon of temperature quenching. The structural characterization of these luminescent materials was carried by used XRD and TEM. The result showed that the phosphor was in amorphous phase.
文摘We report an ab initio〉/I〉 study of spectral properties of Ce^3＋ doped at Na＋ site of the NaF crys-tal, with the charge imbalance compensated by two oxygen substitutions for fluoride （OF＇） in the first coordination shell or two sodium vacancies （VNa＇） in the second coordination sphere. Density functional theory calculations within the supercell model are first performed to op-timize the local structures of the charge-compensated Ce^3＋, based on which Ce-centered embedded clusters are constructed and wave function-based CASSCF/CASPT2/RASSI-SO calculations are carried out to obtain the energies of 4f1 and 5d1 levels. By comparing the calculated 4f→5d transition energies with experimental excitation spectra at low temper-atures, the lowest 4f→5d transition band peaked at 390 nm is assigned to the Ce^3＋ with charge compensation by two coordinating OF＇ substitutions, rather than to the Ce^3＋ with compensation by two VNa0 vacancies, as proposed earlier. The electronic reason for the large redshift （by -8000 cm-1） of the lowest 4f→5d transition as induced by the two nearby OF＇ substitutions is analyzed in terms of the changes in the centroid shift and crystal-field splitting.
