Design Principles of Large Cation Incorporation in Halide Perovskites.

Heesoo Park, Syam Kumar, Sanjay Chawla, Fedwa El-Mellouhi

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Article in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

4 authors.

Heesoo ParkQatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha P.O. Box 34110, Qatar.ORCID 0000-0002-4276-6843

Syam KumarDepartment of Health and Nutritional Science, Institute of Technology Sligo, Ash Lane, F91 YW50 Sligo, Ireland.ORCID 0000-0002-4065-2666

Sanjay ChawlaQatar Computing Research Institute, Hamad Bin Khalifa University, Doha P.O. Box 34110, Qatar.

Fedwa El-MellouhiQatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Doha P.O. Box 34110, Qatar.ORCID 0000-0003-4338-9290

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Perovskites have stood out as excellent photoactive materials with high efficiencies and stabilities, achieved via cation mixing techniques. Overcoming challenges to the stabilization of Perovskite solar cells calls for the development of design principles of large cation incorporation in halide perovskite to accelerate the discovery of optimal stable compositions. Large fluorinated organic cations incorporation is an attractive method for enhancing the intrinsic stability of halide perovskites due to their high dipole moment and moisture-resistant nature. However, a fluorinated cation has a larger ionic size than its non-fluorinated counterpart, falling within the upper boundary of the mixed-cation incorporation. Here, we report on the intrinsic stability of mixed Methylammonium (MA) lead halides at different concentrations of large cation incorporation, namely, ehtylammonium (EA; [CH

Indexed as

Bayesian optimizationdensity functional theoryfluorinated cationhalide perovskiteslarge cationmixed cationnon-covalent interactionoctahedral deformationphotocatalyst

Identifiers

PMID34684765

DOI10.3390/molecules26206184

PMCPMC8539499

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.