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Tilts and shifts in molecular perovskites
CrystEngComm ( IF 3.1 ) Pub Date : 2020/01/03 , DOI: 10.1039/c9ce01950b
Hanna L. B. Boström 1, 2, 3, 4, 5
Affiliation  

Molecular perovskites have attracted widespread research attention for their diverse properties. Like inorganic perovskites, these systems are susceptible to displacive phase transitions of rigid octahedra. This study investigates the prevalence of the accessible rigid unit modes—conventional and unconventional tilts and columnar shifts—in the classes of molecular perovskites. Formate-based compounds prefer conventional tilting, as a result of its antianti binding mode. Azides, hypophosphites, and dicyanamides show a propensity for unconventional tilts and shifts, which relates to their flexible binding geometries.

中文翻译:

分子钙钛矿的倾斜和转变

分子钙钛矿因其多种性质而吸引了广泛的研究关注。像无机钙钛矿一样,这些系统易受刚性八面体的置换相变的影响。这项研究调查了分子钙钛矿中可及的刚性单元模式(常规和非常规倾斜和柱状位移)的普遍性。基于甲酸盐的化合物更喜欢常规的倾斜,作为其的结果,-式装订模式。叠氮化物,次磷酸盐和双氰胺显示出非常规倾斜和移位的倾向,这与它们的灵活结合几何形状有关。
更新日期:2020-02-13
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