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发现用于发光二极管应用的和其结构的确定,Ba(Si,Al) 5(O,N) 8:Eu2+

Woon Bae Park¹, Satendra Pal Singh, Kee-Sun Sohn

¹Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University , Seoul 143-747, Korea.

Journal of the American Chemical Society

|January 21, 2014

概括

研究人员使用遗传算法开发了一种改进的材料发现策略,以找到真正新的. 这种方法成功地确定了一种新的Eu(2+) 化AB5X8,具有独特的光辐射二极管的奥托伦比结构.

科学领域:

材料科学材料科学材料科学
固态化学固态化学
晶体学晶体学是指结晶学.

背景情况:

新型光器对于发光二极管 (LED) 技术至关重要.
由于已知的化合物的变化,现有的材料往往导致知识产权 (IP) 争端.
需要对真正新的明确定义和发现方法,以避免知识产权的并发症.

研究的目的:

完善一个系统的材料发现策略,以识别真正的新.
整合一个涉及精英主义的非主导排序遗传算法 (NSGA-II) 进行增强的发现.
发现具有独特晶体结构的新型光体,适用于LED应用.

主要方法:

采用精细的材料发现策略,结合启发式优化和高吞吐量处理.
在发现过程中整合了一种涉及精英主义的非主导排序遗传算法 (NSGA-II).
系统地寻找具有潜在发光特性的新无机化合物.

主要成果:

成功发现了一种新型的Eu(2+) 化AB5X8 (A = Sr或Ba,B = Si和Al,X = O和N).
新的体呈现出一种独特的正方体晶体结构 (A21am),在现有的数据库中并不存在.
具有特征的格子参数:a = 9.48461(3) Å,b = 13.47194(6) Å,c = 5.77323(2) Å,其中α = β = γ = 90°.

结论:

改进的发现策略有效地保证了真正新的识别.
新发现的Eu2+) 化AB5X8体代表了材料的重大进步.
这一发现为开发具有独特结构的新光器提供了基础,有可能解决LED行业的知识产权问题.

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