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改进了用于模拟二元金属团簇稳定结构的自适应免疫优化算法(称为Tri-AIOA),并将其应用于三元金属Ag-Pd-Pt团簇的结构优化。对原子数为19的Ag-Pd-Pt团簇的优化结果表明,Tri-AIOA具有较强的优化能力和效率。该方法也被用于模拟原子数为55的AgnPd43Pt12(n=1-42)团簇稳定结构,优化结果被分为27个Mackay二十面体结构、4个五折叠饼状结构、以及11个由3个双二十面体面面相连构成的环状结构。优化结果为Ag-Pd-Pt团簇的性质研究提供了理论依据。 相似文献
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Rare earth borogermanates as a group of stable compounds provided various potential properties important for modern sciences. Among the properties of interests, luminescence was manifested due to the variability of rare earth elements and the compounds constituted an important group of potential candidate. In this work, novel phosphors of Eu3+, Tb3+ or Tm3+ doped LaBGeO5 with the stillwellite type structure were synthesized by the solid state reaction method. Their X-ray and UV excitation luminescent proper... 相似文献
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化学是一门以实验为基础的科学,在无机化学课程的改革中,无机化学实验教学的改革同样势在必行。文章结合笔者从教两年多的自身体会从设置无机化学实验教学的内容、改善教学方式以及考核方式三个方面浅谈无机化学实验教学的改进。 相似文献
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Rare earth borogermanates as a group of stable compounds provided various potential properties important for modern sciences. Among the properties of interests, luminescence was manifested due to the variability of rare earth elements and the compounds constituted an important group of potential candidate. In this work, novel phosphors of Eu3+, Tb3+ or Tm3+ doped LaBGeO5 with the stillwellite type structure were synthesized by the solid state reaction method. Their X-ray and UV excitation luminescent properties showed that LaBGeO5 was an excellent host lattice for the luminescence of Eu3+, Tb3+ and Tm3+. The LaBGeO5:Eu3+, LaBGeO5:Tb3+ and LaBGeO5:Tm3+ presented bright red, green and blue emission light for both UV and X-ray excitation. 相似文献
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