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Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods
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理论预测和实验实现新的稳定无机材料,使用逆设计方法

Andriy Zakutayev1, Xiuwen Zhang, Arpun Nagaraja

  • 1National Renewable Energy Laboratory, Golden, Colorado 80401, USA.

Journal of the American Chemical Society
|May 16, 2013
PubMed
概括

研究人员通过反向设计加速了新三元无机材料的发现. 他们使用理论计算和实验合成确定了八种新的稳定化合物,包括半导体-- (TaCoSn),使用理论计算和实验合成.

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In gravimetry, the precipitant is chosen carefully to obtain a pure solid that can be easily filtered. Common inorganic precipitants can be used to determine several cations and anions. In some cases, the formation of the same precipitate can be used to determine the cation and the anion. For example, the reaction of barium and chromate ions to give barium chromate is used to determine both barium and chromate. However, precipitates such as hydroxides, oxalates, and metal ammonium phosphates...