在Mn16SiC4和Mn17Si2C4结构中,金属间和碳化物域之间的表轴稳定
Rie T Fredrickson1, Yiming Guo1, Daniel C Fredrickson1
1Department of Chemistry, University of Wisconsin-Madison , 1101 University Avenue, Madison, Wisconsin 57306, United States.
Journal of the American Chemical Society
|December 8, 2015
概括
研究人员通过结合不相容的结合基因合成了新的金属间碳化物Mn16SiC4和Mn17Si2C4. 这种"表轴稳定"克服了金属系统的挑战,创造了具有交织的金属和碳化物相互作用的新材料.
科学领域:
- 材料科学
- 固态化学
- 晶体学
背景情况:
- 竞争的几何或粘合图案之间的挫折是理解复杂材料结构和性能的关键,特别是在金属系统中.
- 由于元件分离,在金属中诱导挫折是很困难的,与软材料不同.
- 金属玻璃,磁体现象和大型金属间单元受挫折的影响.
研究的目的:
- 展示一种方法来诱导金属系统中不兼容的粘合图案的相互生长.
- 合成和描述具有交织结合类型的新型金属间碳化物.
- 解释这些交织结构的稳定机制.
主要方法:
- 新型金属间碳化物的合成:Mn16SiC4和Mn17Si2C4.
- 合成化合物的晶体结构的表征.
- 密度函数理论 (DFT) 化学压力分析以研究稳定力.
主要成果:
- 两种新的金属间碳化物Mn16SiC4 (mC42) 和Mn17Si2C4 (mP46) 已成功合成.
- 这些化合物具有Mn3C (碳化物) 和Mn-Si (四面体密集) 区域的相互生长结构.
- DFT分析显示,Mn-Si和Mn-C域中的Mn原子之间的对立局部压力通过它们的相互增长而得到缓解,称为表轴稳定.
结论:
- 合成Mn16SiC4和Mn17Si2C4为金属系统中的工程师提供了一条途径.
- 由对立的局部压力的缓解驱动的上轴稳定,有效地交织了不相容的粘合动机.
- 这种方法为设计具有定制性质的先进材料提供了新的策略.
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