Methylphosphonium Tin Bromide: A 3D Perovskite Molecular Ferroelectric Semiconductor

Zhang, Han‐Yue; Chen, Xiaogang; Zhang, Zhi‐Xu; Song, Xiaojing; Zhang, Tie; Pan, Qiang; Zhang, Yi; Xiong, Ren‐Gen

doi:10.1002/adma.202005213

Cited by 85 publications

(55 citation statements)

References 48 publications

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“…[27][28][29][30][31][32][33][34][35][36][37] Based on this nature, sensor, switch and so on can be designed that can enrich and facilitate our daily life. [38][39][40][41][42][43][44][45] In conclusion, the discovery and design of new molecular ferroelastics is a pressing research topic.…”

Section: Introductionmentioning

confidence: 99%

Hybrid Optical-Electrical Perovskite Can Be a Ferroelastic Semiconductor

Lun

Chen

et al. 2022

CCS Chem

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Organic-inorganic hybrid perovskites (OIHPs) have been a hot research topic for their advanced structural and functional features, which cover almost all the research fields of intelligent materials including ferroelectric, photovoltaic, fluorescent, dielectric, etc. However, the OIHPs ferroelastic semiconductor with optical-electrical response has been a huge challenge and rarely reported. In this work, a rare and interesting hybrid perovskite ferroelastic semiconductor [BFDA]PbBr 3 was synthesized, which benefits from the structural advantage of a long tail BFDA to be balanced by the suitable inorganic framework (BFDA=benzyl-(2-fluoro-ethyl)-dimethyl-ammonium). The [BFDA]PbBr 3 shows the high temperature ferroelastic phase transition at 365 K and a direct band gap of 3.33 eV. In addition, it can emit the charming orange pink light under 365 nm UV lamp. To combine with the ferroelastic, optical and dielectric properties, [BFDA]PbBr 3 can be identified as a very rare

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Section: Introductionmentioning

confidence: 99%

Hybrid Optical-Electrical Perovskite Can Be a Ferroelastic Semiconductor

Lun

Chen

et al. 2022

CCS Chem

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“…Besides inorganic ferroelectrics, there is an attractive ferroelectric family of molecular ferroelectrics, which have attracted great attention in recent years because of the excellent ferroelectric properties comparable to those of the inorganic counterparts and the advantages in mechanical flexibility, light weight, good biocompatibility, and easy and environment‐friendly processing. [ 13 , 14 , 15 , 16 ] Moreover, the abundant species and structural diversity of molecular‐based materials provide rich opportunities for constructing molecular ferroelectrics with fascinating functions. In organic compounds, structural isomerizations are closely associated with light radiation, which have been extensively studied in photochromic crystals.…”

Section: Introductionmentioning

confidence: 99%

Optically Induced Ferroelectric Polarization Switching in a Molecular Ferroelectric with Reversible Photoisomerization

et al. 2021

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Ferroelectrics usually exhibit temperature‐triggered structural changes, which play crucial roles in controlling their physical properties. However, although light is very striking as a non‐contact, non‐destructive, and remotely controlled external stimuli, ferroelectric crystals with light‐triggered structural changes are very rare, which holds promise for optical control of ferroelectric properties. Here, an organic molecular ferroelectric, N‐salicylidene‐2,3,4,5,6‐pentafluoroaniline (SA‐PFA), which shows light‐triggered structural change of reversible photoisomerization between cis‐enol and trans‐keto configuration is reported. SA‐PFA presents clear ferroelectricity with the saturate polarization of 0.84 μC cm−2, larger than those of some typical organic ferroelectrics with thermodynamically structural changes. Benefit from the reversible photoisomerization, the dielectric real part of SA‐PFA can be reversibly switched by light. More strikingly, the photoisomerization enables SA‐PFA to show reversible optically induced ferroelectric polarization switching. Such intriguing behaviors make SPFA a potential candidate for application in next‐generation photo‐controlled ferroelectric devices. This work sheds light on further exploration of more excellent molecular ferroelectrics with light‐triggered structural changes for optical control of ferroelectric properties.

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“…It is worth mentioning that the prediction accuracy values of t and τ in the data set are only 0.50 and 0.71, respectively, while the accuracies of the LOOCV and test set of the selected model are 0.95 and 0.88, respectively. In addition, we collect 22 HOIPs (Table S3) from the experimental literature − as an external independent test set. The accuracy is 0.91, and the probability of formability of all 17 samples is above 0.94.…”

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confidence: 99%

Predicting the Formability of Hybrid Organic–Inorganic Perovskites via an Interpretable Machine Learning Strategy

Zhang

et al. 2021

J. Phys. Chem. Lett.

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Predicting the formability of perovskite structure for hybrid organic−inorganic perovskites (HOIPs) is a prominent challenge in the search for the required materials from a huge search space. Here, we propose an interpretable strategy combining machine learning with a shapley additive explanations (SHAP) approach to accelerate the discovery of potential HOIPs. According to the prediction of the best classification model, top-198 nontoxic candidates with a probability of formability (P f ) of >0.99 are screened from 18560 virtual samples. The SHAP analysis reveals that the radius and lattice constant of the B site (r B and LC B ) are positively related to formability, while the ionic radius of the A site (r A ), the tolerant factor (t), and the first ionization energy of the B site (I 1B ) have negative relations. The significant finding is that stricter ranges of t (0.84−1.12) and improved tolerant factor τ (critical value of 6.20) do exist for HOIPs, which are different from inorganic perovskites, providing a simple and fast assessment in the design of materials with an HOIP structure.

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Methylphosphonium Tin Bromide: A 3D Perovskite Molecular Ferroelectric Semiconductor

Abstract: Figure 6. a) Solid-state variable-temperature UV−vis absorption spectra, b) energy band structure, and c) PDOS of MPSnBr 3 .

Cited by 85 publications

References 48 publications

Hybrid Optical-Electrical Perovskite Can Be a Ferroelastic Semiconductor

Hybrid Optical-Electrical Perovskite Can Be a Ferroelastic Semiconductor

Optically Induced Ferroelectric Polarization Switching in a Molecular Ferroelectric with Reversible Photoisomerization

Predicting the Formability of Hybrid Organic–Inorganic Perovskites via an Interpretable Machine Learning Strategy

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