Strain in Hybrid Organic-Inorganic Metal Halide Perovskites Microstructures by Numerical Simulations

• Published in: Chemphyschem Vol. 25; no. 18; p. e202400394
• Main Authors: Manganelli, Costanza Lucia, Martín-García, Beatriz, Spirito, Davide
• Format: Journal Article
• Language: English
• Published: Germany Wiley Subscription Services, Inc 15.07.2024
• Subjects: Crystal structure; Deformation effects; Elastic deformation; Elastic properties; Electrical properties; Mechanical properties; Metal halides; Optical properties; Optoelectronics; Perovskites; Strain; Substrates; Thickness; Vertical forces; strain; microbubble; finite-element method; hybrid organic-inorganic metal halide perovskite; elastic properties
• ISSN: 1439-4235; 1439-7641; 1439-7641
• DOI: 10.1002/cphc.202400394

Hybrid organic-inorganic metal halide perovskites (HOIPs) are promising materials for optoelectronics applications. Their optical and electrical properties can be controlled by strain engineering, that results from application of local elastic deformation or deposition on pre-patterned substrates acquiring a conformal 3D shape. Most interesting, their mechanical properties depend on their crystal structure, composition and dimensionality. We explore by numerical simulations the deformation of a selection of HOIPs comprising a broad range of elastic properties. We consider an axial symmetry with the formation of microdomes on flakes. Radial and vertical forces are considered, finding that the radial force is more effective to obtain large deformation. Large vertical displacement and strain is obtained for HOIPs with low stiffness. The layered nature of HOIPs, that are formed by inorganic layers of different thickness and organic spacers, is also investigated, revealing a non-monotonous trend with the proportion of inorganic to organic part.