In the realm of perovskite materials, organic molecules situated at the A site play a critical role in stabilizing the structure through specific orientations and weak interactions with the inorganic framework. These polar interactions significantly influence the optoelectronic properties of perovskites, and the introduction of polar molecules can disrupt the inherent polarization, thereby altering the material performance. The research primarily focuses on the relationship between the length and width of these organic cations and their polar inductive effects. Overall, the interplay between the chain length, molecular width, and dipole moments was shown to significantly affect the lifetime of MAPbI materials. Key findings indicate that non-radiative recombination, which is a major energy loss mechanism in solar cells, is intrinsically linked to the variations of hydrogen bonds and PbI octahedral distortion. The analysis revealed a strong negative correlation between octahedral angles, highlighting the complex relationship between these variables and their collective effects on charge carrier dynamics.
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http://dx.doi.org/10.1021/acs.jpclett.4c02965 | DOI Listing |
Toxics
December 2024
Anhui Province Industrial Generic Technology Research Center for Alumics Materials, Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, School of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000, China.
Dichlorvos (2,2-dichlorovinyl dimethyl phosphate, DDVP) is a highly toxic organophosphorus insecticide, and its persistence in air, water, and soil poses potential threats to human health and ecosystems. Covalent triazine frameworks (CTFs), with their sufficient visible-light harvesting capacity, ameliorated charge separation, and exceptional redox ability, have emerged as promising candidates for the photocatalytic degradation of DDVP. Nevertheless, pure CTFs lack effective oxidative active sites, resulting in elevated reaction energy barriers during the photodegradation of DDVP.
View Article and Find Full Text PDFMolecules
December 2024
Coimbra Chemistry Center, Institute of Molecular Sciences (CQC-IMS), University of Coimbra, 3004-535 Coimbra, Portugal.
The membrane dipole potential that arises from the interfacial water and constitutive dipolar groups of lipid molecules modulates the interaction of amphiphiles and proteins with membranes. Consequently, its determination for lipid mixtures resembling the existing diversity in biological membranes is very relevant. In this work, the dipole potentials of monolayers, formed at the air-water interface, from pure or mixed lipids (1-palmitoyl-2-oleoyl--glycero-3-phosphocholine (POPC), 1-palmitoyl-2-oleoyl--glycero-3-phosphoethanolamine (POPE), 1-palmitoyl-2-oleoyl--glycero-3-phosphatidyserine (POPS), sphingomyelin (SpM) and cholesterol) were measured and correlated with the mean area per lipid.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry - Ångström Laboratory, Uppsala University, SE-75120 Uppsala, Sweden.
Isonitrile-derivatized amino acids are emerging as highly effective infrared (IR) probes for investigating the structures and dynamics of hydrogen (H)-bonds. These probes enable the quantification of chemical exchange processes in solute-solvent complexes via two-dimensional IR spectroscopy and hold significant promise for site-specific dynamic studies within proteins. Despite their potential, theoretical models that elucidate the solvatochromism of isonitriles remain underdeveloped.
View Article and Find Full Text PDFACS Omega
December 2024
Faculty of Health Science, University of Ss. Cyril and Methodius, 91701 Trnava, Slovakia.
Small
January 2025
Dalian National Laboratory for Clean Energy, iChEM, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, P. R. China.
Organic-inorganic formamidinium lead triiodide (FAPbI) hybrid perovskite quantum dots (QDs) have garnered considerable attention in the photovoltaic field due to their narrow bandgap, exceptional environmental stability, and prolonged carrier lifetime. Unfortunately, their insulating ligands and surface vacancy defects pose significant obstacles to efficient charge transfer across device interfaces. In this work, an electrostatic harmonization strategy at the interface using a donor-acceptor dipole molecular attachment to achieve enhanced charge separation capabilities on the QD surface is ventured.
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