Strain in Metal Halide Perovskites: The Critical Role of A-Site Cation
Source abstract
Abstract
We investigate the role of the A-site cation in the lattice strain of metal halide perovskites (MHPs) upon light illumination and heating—two inevitable factors during the operation of photovoltaic devices. We reveal that the A-site cation plays an important role in light-induced strain in MHPs. Density functional theory calculations indicate that hydrogen-bonding interactions and ionization energy of the A-site cation are potential reasons responsible for the light-induced lattice strain in MHPs. These findings offer an approach to modulate the light-induced strain in MHPs, which is critical for further improving the efficiency and stability of MHP photovoltaics.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Perovskite Materials and Applications · Solid-state spectroscopy and crystallography · Chalcogenide Semiconductor Thin Films
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States
Joint Institute for Advanced Materials, Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States
Computational Sciences & Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
Neutron Science Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States
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