Ab Initio Study Of Zno-Based Gas-Sensing Mechanisms: Surface Reconstruction And Charge Transfer

Density functional theory (DFT) calculations were employed to explore the gas-sensing mechanisms of zinc oxide (ZnO) with surface reconstruction taken into consideration. Mix-terminated (10 (1) over bar0) ZnO surfaces were examined. By simulating the adsorption process of various gases, i.e., H-2, NH3, CO, and ethanol (C2H5OH) gases, on the ZnO (10 (1) over bar0) surface, the changes of configuration and electronic structure were compared. Based on these calculations, two gas-sensing mechanisms were proposed and revealed that both surface reconstruction and charge transfer result in a change of electronic conductance of ZnO. Also, the calculations were compared with existing experiments.

CE3+对ER3+/Yb3+共掺TeO2-WO3-ZnO玻璃发光性能的影响

Ce3+ ions were introduced into the Er3+/Yb3+ -codoped TeO2-WO3-ZnO glasses, and the effect of Ce3+ on the emission properties at 1.5 mu m band and the upconversion luminescence of Er3+ in the glasses was investigated. With the increasing of Ce3+ concentration, the emission intensity of Er3+ at 1.5 mu m band increases firstly, and then decreases. The optimal doping concentration of Ce3+ is about 2.07 x 10(20)/cm(3). As for the Er3+ emission at 1.5-mu m band, the fluorescence lifetime decreases a little from 3.4ms to 3.0ms, while the full width at half maximum (FWHM) hardly changes with the increase of Cc 3+ concentration. Due to the effective cross relaxation between Ce3+ and Er3+ : Er3+ (I-4(11/2)) + Ce3+ (F-2(5/2)) -> Er3+ (I-4(13/2)) + Ce3+ (F-2(7/2)), the upconversion emission intensity of Er3+ is reduced greatly. But when Ce3+ -doping concentration is too high, the other cross relaxation between Ce3+ and Er3+ : Er3+ (4I(13/2)) + Ce3+ (F-2(5/2)) -> Er3+ (I-4(15/2)) + Ce3+ (F-2(7/2)) happens, which depopulates the I-4(13/2) level of Er3+ and results in the decrease of the emission intensity and fluorescence lifetime of Er3+ at 1.5 mu m band.

Infrared-to-visible upconversion emissions in Er3+ doped TeO2-based oxyhalide glasses

The fluorescence and up-conversion spectral properties of Er3+-doped TeO2-ZnO and TeO2-ZnO-PbCl2 glasses suitable for developing optical fiber amplifier and laser have been fabricate and characterized. Strong green (around 527-550 nm) and red (around 661 nm) up-conversion emissions under 977 nm laser diode excitation were investigated, corresponding to H-2(11/2), S-4(3/2), --> I-4(15/2) and F-4(9/2) --> I-4(15/2) transitions of Er3+ ions respectively, have been observed and the involved mechanisms have been explained. The dependence of up-converted fluorescence intensity versus laser power confirm that two-photons contribute to up-conversion of the green-red emissions. The novelty of this kind of optical material has been its ability in resisting devitrification, and its promising optical properties strongly encourage for their further development as the rare-earth doped optical fiber amplifiers and upconversion fiber laser systems.

TeO2-ZnO-Na2O-K2O玻璃中Er^3＋离子掺杂浓度对其发光及荧光寿命的影响

测量了不同掺杂浓度下Er^3+离子在碲酸盐玻璃中的吸收光谱、发射光谱和Er^3+离子的荧光寿命，计算了Er^3+离子的发射截面σc，分析了Er^3+离子掺杂浓度对其发光强度和荧光寿命的影响．结果表明，Er^3+离子掺杂浓度较低时，对其荧光强度和荧光寿命没有显著的影响；掺杂浓度高时，出现了浓度猝灭效应，使Er^3+离子荧光光强度降低，荧光寿命下降．实验确定了掺杂浓度最优值，同时对浓度猝灭机制进行了分析．

The spectroscopic properties of Er3(+)-doped TeO2-Nb2O5 glasses with high mechanical strength performance

(100 - x)TeO2 - xNb(2)O(5) (x=5-20) mobic tellurite glasses doped with 0.5 mol.% Er2O3 were synthesized, and their thermal, mechanical, and spectroscopic properties were measured and compared to the properties of the typical 75TeO(2)-20ZnO-5Na(2)O (TZN) tellurite glass. The refractive index (n(d)), density (p), and glass transition temperature (T-g) of bulk glasses increase with the Nb2O5 content. The Vickers microhardness (H-v) of bulk glass in niobic tellurite glasses also increases with the Nb2O5 content. The values (2.5-3.2 GPa) of H, in the niobic tellurite glasses are 47-88% larger than that (1.7 GPa) in TZN glass. The effect of Nb2O5 content on absorption spectra, the Judd-Ofelt parameters Omega(t) (t = 2, 4, 6), fluorescence spectra and the lifetimes of Er3+ :I-13/2 level were also investigated, and the stimulated emission crosssection was calculated from McCumber theory. With increasing Nb2O5 content in the glass composition, the Omega(t) (t = 2, 4, 6) parameters, fluorescence full width at half maximum (FWHM) Of I-13/2 of Er3+ increase, while the I-4(13/2) lifetimes of Er3+ decreases. Compared with TZN glass, the gain bandwidth properties of Er3+-doped TeO2-Nb2O5 glass is much larger than in tellurite glass based TeO2-ZnO-Na2O system, bismush-based glass, germanate, and silicate glasses, which indicates that TeO2-Nb2O5 glasses are better choice as a practical available host material for broadband Er3+-doped amplifier. (c) 2005 Elsevier B.V. All rights reserved.

Concentration quenching in erbium-doped tellurite glasses

Er2O3-doped TeO2-ZnO-La2O3 modified tellurite glasses were prepared by the conventional melt-quenching method, and the Er3+ : I-4(13/2) -> I-4(15/2) fluorescence properties have been studied for different Er3+ concentrations. Infrared spectra were measured in order to estimate the exact content of OH- groups in samples. Based on the electric dipole-dipole interaction theory, the interaction parameter, C-Er,(Er), for the migration rate of Er3+ : I-4(13/2) -> I-4(13/2) in modified tellurite glass was calculated. Finally, the concentration quenching mechanism using a model based on energy transfer and quenching by hydroxyl (OH-) groups was presented. (c) 2005 Elsevier B.V. All rights reserved.

Investigations on valence-change behaviors of europium ions in Eu-doped aluminate and silicate phosphors

Compounds of Sr3Al2O6: Eu, Sr4Al14O25: Eu, and BaZnSiO4: Eu were synthesized by high-temperature solid state reactions. The doping Eu3+ ions were partially reduced to Eu2+ in Sr4Al14O25: Eu and BaZnSiO4: Eu prepared in an oxidizing atmosphere, N-2 + O-2. However, such an abnormal reduction process could not be performed in Sr3Al2O6: Eu, which was also prepared in an atmosphere of N-2 + O-2. Moreover, even though Sr3Al2O6: Eu was synthesized in a reducing condition CO, only part of the Eu3+ ions was reduced to Eu2+. The existence of trivalent and divalent europium ions was confirmed by photoluminescent spectra. The different valence-change behaviors of europium ions in the hosts were attributed to the difference in host crystal structures. The higher the crystal structure stiffness, the easier the reduction process from Eu3+ to Eu2+.