复杂的稀土化物:机械化学制备,晶体结构和储存潜力
Claudia Weidenthaler1, André Pommerin, Michael Felderhoff
1Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim, Germany. weidenthaler@mpi-muelheim.mpg.de
Journal of the American Chemical Society
|November 6, 2009
概括
新的稀土化物被合成和特征化. 这些复杂化物显示出作为可逆储存的低温金属化物的潜力.
科学领域:
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
- 无机化学 无机化学 有机化学
背景情况:
- 稀土化物是复杂的材料,在储存中具有潜在的应用.
- 了解它们的结构和热特性对于开发新能源材料至关重要.
研究的目的:
- 为了合成和描述新型复杂的稀土化物.
- 为了研究它们的晶体结构,热稳定性和脱行为.
- 评估它们对可逆储存的潜力.
主要方法:
- 稀土化的机械化学制备 (REAlH ((6)).
- 密度函数理论 (DFT) 计算用于结晶结构的确定.
- 使用实验数据进行初步结构改进.
- 热解研究,以调查脱途径和产品.
- 对分解热量进行分析,以评估化可逆性.
主要成果:
- 成功合成了新型复杂的稀土化物 (RE = La,Ce,Pr,Nd).
- 确定了三角形晶体结构,其中有分离的[AlH(6) ](3-) 八面体,由RE连接.
- 观察到热稳定性随着稀土元素原子数的增加而下降.
- 确定了稀土化物 (REH(x)) 和RE-合金作为脱产品.
- 计算的分解值表明在适度条件下可能出现可逆化.
结论:
- 合成的稀土化是低温储存的有希望的候选者.
- 它们的可逆性可能在优化的压力和温度条件下可以实现.
- 这些材料代表了一类有趣的复杂化物,用于能源应用.
相关概念视频
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