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Pressure-Induced Piezochromism and Structure Transitions in Lead-Free Layered Cs<sub>4</sub>MnBi<sub>2</sub>Cl<sub>12</sub> Quadruple Perovskite

Yalin Ma, Long Zhang, Yong Tang, Si‐Guo Wu, Ming‐Liang Tong, Kai Wang, Bo Zou, Man‐Rong Li

2021ACS Applied Energy Materials20 citationsDOI

Abstract

Lead-free all-inorganic halide perovskites with an outstanding stability and a nontoxic nature are promising substitutes for hybrid lead halide counterparts in optoelectronic devices and solar cells. Herein, we investigate the relationship between the structure and optical properties of quadruple halide perovskite Cs4MnBi2Cl12 via a high-pressure technique, and in situ spectroscopic analyses with density functional theory calculations as well. Cs4MnBi2Cl12 undergoes two distinct band gap narrowing processes and a sharp piezochromic transition upon compression, accompanied by two pressure-induced phase transitions. Our findings provide a unique strategy to tune lead-free quadruple perovskites with suitable band gaps for better optoelectronic and photovoltaic applications.

Topics & Concepts

HalidePerovskite (structure)Phase transitionMaterials scienceBand gapDensity functional theoryPhase (matter)Chemical physicsOptoelectronicsLead (geology)High pressureCondensed matter physicsCrystallographyChemistryInorganic chemistryComputational chemistryEngineering physicsPhysicsOrganic chemistryGeomorphologyGeologyPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallography2D Materials and Applications