Additive Ba（N3）2 as a source of nitrogen is heavily doped into the graphite-Fe-based alloy system to grow nitrogendoped diamond crystals under a relatively high pressure （about 6.0 GPa） by employing the temperatur...Additive Ba（N3）2 as a source of nitrogen is heavily doped into the graphite-Fe-based alloy system to grow nitrogendoped diamond crystals under a relatively high pressure （about 6.0 GPa） by employing the temperature gradient method. Gem-grade diamond crystal with a size of around 5 mm and a nitrogen concentration of about 1173 ppm is successfully synthesised for the first time under high pressure and high temperature in a China-type cubic anvil highpressure apparatus. The growth habit of diamond crystal under the environment with high degree of nitrogen doping is investigated. It is found that the morphologies of heavily nitrogen-doped diamond crystals are all of octahedral shape dominated by {111} facets. The effects of temperature and duration on nitrogen concentration and form are explored by infrared absorption spectra. The results indicate that nitrogen impurity is present in diamond predominantly in the dispersed form accompanied by aggregated form, and the aggregated nitrogen concentration in diamond increases with temperature and duration. In addition, it is indicated that nitrogen donors are more easily incorporated into growing crystals at higher temperature. Strains in nitrogen-doped diamond crystal are characterized by micro-Raman spectroscopy. Measurement results demonstrate that the undoped diamond crystals exhibit the compressive stress, whereas diamond crystals heavily doped with the addition of Ba（N3）2 display the tensile stress.展开更多
Eu^2＋-doped Ba3Si6012N2 green phosphors were prepared by microwave assisted sintering method at 1275℃ for 4 h, while the counterparts using conventional solid-state reaction method were synthesized at temperature hi...Eu^2＋-doped Ba3Si6012N2 green phosphors were prepared by microwave assisted sintering method at 1275℃ for 4 h, while the counterparts using conventional solid-state reaction method were synthesized at temperature higher than 1300℃ and for to 10 h. Microwave assisted sintering could reduce the activation energy and enhance the diffu- sion rate, thus greatly improved the sintering. Moreover, the influence of Si3N4 content on phase formation, morphol- ogy, absorption, and quantum efficiency, and photoluminescence properties of phosphors were studied. As a result, the Ba3Si6OI2N2：Eu^2＋ samples sintered by microwave assisted sintering method have a higher phase purity and photo- luminescence intensity under ultraviolet excitation as compared with samples sintered in the conventional tube furnace The proposed method is a potential preparation method for the oxynitride phosphors with strong photoluminescence and high phase purity.展开更多
This paper investigates the lowest-energy structures, stabilities and electronic properties of （BAs）n clusters （n=1- 14） by means of the density-functional theory. The results show that the lowest-energy structure...This paper investigates the lowest-energy structures, stabilities and electronic properties of （BAs）n clusters （n=1- 14） by means of the density-functional theory. The results show that the lowest-energy structures undergo a structural change from two-dimensional to three-dimensional when n ： 4. With the increase of the cluster size （n=6）, the （BAs）n clusters tend to adopt cage-like structures, which can be considered as being built from B2As2 and six-membered rings with B-As bond alternative arrangement. The binding energy per atom, second-order energy differences, vertical electron affinity and vertical ionization potential are calculated and discussed. The caculated HOMO-LUMO gaps reveal that the clusters have typical semiconductor characteristics. The analysis of partial density of states suggests that there are strong covalence and molecular characteristics in the clusters.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant No.50572032)
文摘Additive Ba（N3）2 as a source of nitrogen is heavily doped into the graphite-Fe-based alloy system to grow nitrogendoped diamond crystals under a relatively high pressure （about 6.0 GPa） by employing the temperature gradient method. Gem-grade diamond crystal with a size of around 5 mm and a nitrogen concentration of about 1173 ppm is successfully synthesised for the first time under high pressure and high temperature in a China-type cubic anvil highpressure apparatus. The growth habit of diamond crystal under the environment with high degree of nitrogen doping is investigated. It is found that the morphologies of heavily nitrogen-doped diamond crystals are all of octahedral shape dominated by {111} facets. The effects of temperature and duration on nitrogen concentration and form are explored by infrared absorption spectra. The results indicate that nitrogen impurity is present in diamond predominantly in the dispersed form accompanied by aggregated form, and the aggregated nitrogen concentration in diamond increases with temperature and duration. In addition, it is indicated that nitrogen donors are more easily incorporated into growing crystals at higher temperature. Strains in nitrogen-doped diamond crystal are characterized by micro-Raman spectroscopy. Measurement results demonstrate that the undoped diamond crystals exhibit the compressive stress, whereas diamond crystals heavily doped with the addition of Ba（N3）2 display the tensile stress.
文摘Eu^2＋-doped Ba3Si6012N2 green phosphors were prepared by microwave assisted sintering method at 1275℃ for 4 h, while the counterparts using conventional solid-state reaction method were synthesized at temperature higher than 1300℃ and for to 10 h. Microwave assisted sintering could reduce the activation energy and enhance the diffu- sion rate, thus greatly improved the sintering. Moreover, the influence of Si3N4 content on phase formation, morphol- ogy, absorption, and quantum efficiency, and photoluminescence properties of phosphors were studied. As a result, the Ba3Si6OI2N2：Eu^2＋ samples sintered by microwave assisted sintering method have a higher phase purity and photo- luminescence intensity under ultraviolet excitation as compared with samples sintered in the conventional tube furnace The proposed method is a potential preparation method for the oxynitride phosphors with strong photoluminescence and high phase purity.
基金supported by the National Natural Science Foundation of China (Grant No. 10964012)the Priority Subject Program for Theoretical Physics of Xinjiang Normal University and the Fund of the Education Department of Xinjiang Uygur Autonomous Region of China (Grant No. xjedu2009i27)the Science and Technology Innovation Foundation for Graduate Students of Xinjiang Normal University (Grant No. 20101205)
文摘This paper investigates the lowest-energy structures, stabilities and electronic properties of （BAs）n clusters （n=1- 14） by means of the density-functional theory. The results show that the lowest-energy structures undergo a structural change from two-dimensional to three-dimensional when n ： 4. With the increase of the cluster size （n=6）, the （BAs）n clusters tend to adopt cage-like structures, which can be considered as being built from B2As2 and six-membered rings with B-As bond alternative arrangement. The binding energy per atom, second-order energy differences, vertical electron affinity and vertical ionization potential are calculated and discussed. The caculated HOMO-LUMO gaps reveal that the clusters have typical semiconductor characteristics. The analysis of partial density of states suggests that there are strong covalence and molecular characteristics in the clusters.
