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一种用于有机-无机钙钛矿的扩展容忍因子方法。

An extended Tolerance Factor approach for organic-inorganic perovskites.

作者信息

Kieslich Gregor, Sun Shijing, Cheetham Anthony K

机构信息

Department of Materials Science and Metallurgy , University of Cambridge , 27 Charles Babbage Road , Cambridge CB3 0FS , UK . Email:

出版信息

Chem Sci. 2015 Jun 1;6(6):3430-3433. doi: 10.1039/c5sc00961h. Epub 2015 Apr 14.

Abstract

Goldschmidt's concept of ionic Tolerance Factors was recently shown to be a valuable guideline for the preparation of new compounds within the field of organic-inorganic perovskites. Here, we extend this approach and calculate Tolerance Factors for over 2500 amine-metal-anion permutations of the periodic table. The results suggest the potential existence of more than 600 undiscovered hybrid perovskites including alkaline earth metal and lanthanide based materials.

摘要

最近研究表明,戈德施密特的离子容忍因子概念是制备有机-无机钙钛矿领域新化合物的宝贵指导原则。在此,我们扩展了这一方法,计算了元素周期表中超过2500种胺-金属-阴离子排列组合的容忍因子。结果表明,可能存在600多种未被发现的杂化钙钛矿,包括碱土金属和镧系元素基材料。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2613/5492664/933389bcaac6/c5sc00961h-f1.jpg

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