New tolerance factor to predict the stability of perovskite …
We report a new tolerance factor, τ, that enables the prediction of experimentally observed perovskite stability significantly better than the widely used Goldschmidt tolerance factor, t, and the 2D structure map using t and the octahedral factor, μ.
Stabilizing Perovskite Structures by Tuning Tolerance Factor: …
2015年12月18日 · Goldschmidt tolerance factor (t) is an empirical index for predicting stable crystal structures of perovskite materials. A t value between 0.8 and 1.0 is favorable for cubic perovskite structure, and larger (>1) or smaller (<0.8) values of tolerance factor usually result in nonperovskite structures.
Extending the applicability of the Goldschmidt tolerance factor …
2016年4月1日 · For instance, Goldschmidt tolerance factor (T ) of perovskite compounds ABX 3 (A and B: metal cations, X: chalcogen or halogen group) is widely used to assess the geometric stability and...
Thermodynamic Stability Trend of Cubic Perovskites
2017年10月6日 · Goldschmidt tolerance factor (t) recently provided qualitative guidance for experimentalists to engineer stable ABX 3 perovskite by tuning effective ionic size with mixing cations or anions and for theorists to search emerging perovskites.
New tolerance factor to predict the stability of perovskite oxides …
2019年2月8日 · We developed an accurate, physically interpretable, and one-dimensional tolerance factor, τ, that correctly predicts 92% of compounds as perovskite or nonperovskite for an experimental dataset of 576 ABX 3 materials (X = O 2–, F –, Cl –, Br –, I –) using a novel data analytics approach based on SISSO (sure independence screening and ...
In this work, we present a new tolerance factor (t), which has the form. where nA is the oxidation state of A, ri is the ionic radius of ion i, rA > rB by definition, and < 4.18 indicates perovskite. A high overall accuracy.
Big data driven perovskite solar cell stability analysis
2022年12月10日 · One way to categorize perovskites related to structural stability is to use the concept of the tolerance factor, α, (Eq. 6 ) introduced by V.M. Goldschmidt in 1926, which is a way to evaluate...
On the application of the tolerance factor to inorganic and hybrid ...
Here we critically assess the suitability of the tolerance factor for halide perovskites. We show that the tolerance factor fails to accurately predict the stability of the 32 known inorganic iodide perovskites, and propose an alternative method.
Predicting the stability of the perovskite structure remains a longstanding challenge for the discovery of new functional materials for many applications including photovoltaics and electrocatalysts. We developed an accurate, physically interpretable, and one-dimensional tolerance factor, τ, that correctly predicts 92% of compounds as
Two-dimensional perovskite templates for durable, efficient ...
2024年6月13日 · We present a design strategy for fabricating ultrastable phase-pure films of formamidinium lead iodide (FAPbI 3) by lattice templating using specific two-dimensional (2D) perovskites with FA as the cage cation.
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