This review discusses the phemenology of filling, the investigation of kinetics, and the electronic properties for applications of filled single-walled carbon nanotubes (SWCNTs), and summarizes five main achievements that were obtained in processing the spectroscopic data of SWCNTs filled with metal halogenide, metal chalcogenide, metal and metallocenes. First, the methods of processing kinetic data were developed to reveal precise trends in growth rates and activation energies of the growth of SWCNTs. Second, the metal-dependence of kinetics was revealed. Third, metallicity-sorted (metallic and semiconducting) SWCNTs were filled with a range of substances and the electronic properties were investigated. Fourth, new approaches to processing the data of spectroscopic investigations of filled SWCNTs were developed, which allowed more reliable and precise analysis of the experimental results. Fifth, the correlation between the physical and chemical properties of encapsulated substances and the electronic properties of SWCNTs were elucidated. These points are highlighted in the review.
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http://dx.doi.org/10.3390/nano13020314 | DOI Listing |
ACS Appl Mater Interfaces
January 2025
Department of Physics, Chair for Functional Materials, TUM School of Natural Sciences, Technical University of Munich, James-Franck-Str. 1, 85748 Garching, Germany.
Solid additives have garnered significant attention due to their numerous advantages over liquid additives. This study explores the potential of the green-fluorescent conjugated polymer denoted Atums Green as a solid additive in green-solvent-based PBDB-TF-T1:BTP-4F-12 solar cells. Even tiny amounts of Atums Green doping significantly improve the device performance.
View Article and Find Full Text PDFBackground: Regionally anticoagulated continuous renal replacement therapy with citrate is the first choice for critically ill patients with acute kidney injury. If citrate that reaches the patient exceeds the metabolic capacity, metabolic alkalosis will follow. Bicarbonate from the treatment fluids will also reach the patient and add to the bicarbonate load.
View Article and Find Full Text PDFPLoS One
January 2025
Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M'Sik, Hassan II University of Casablanca, Casablanca, Morocco.
Cognitive dysfunction in Alzheimer's disease results from a complex interplay of various pathological processes, including the dysregulation of key enzymes such as acetylcholinesterase (AChE), butyrylcholinesterase (BuChE), and monoamine oxidase B (MAO-B). This study proposes and designs a series of novel molecules derived from 8-hydroxyquinoline (Azo-8HQ) as potential multi-target lead candidates for treating AD. An exhaustive in silico analysis was conducted, encompassing docking studies, ADMET analysis, density functional theory (DFT) studies, molecular dynamics simulations, and subsequent MM-GBSA calculations to examine the pharmacological potential of these molecules with the specific targets of interest.
View Article and Find Full Text PDFACS Nano
January 2025
Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 34141, Korea.
Bismuth oxyselenide (BiOSe) stands as a highly promising layered semiconductor with outstanding optical, electrical, and thermal properties. For the practical application of the material toward the devices, growing BiOSe directly on the amorphous substrate at low temperatures (<400 °C) is essential; however, the negatively charged bottom Se layer originating from alternating stacks of Se and [BiO] has hindered this process. In this work, we report the method for synthesizing a BiOSe film on amorphous alumina (AlO) directly at 350 °C by using chemical solution deposition.
View Article and Find Full Text PDFJ Mol Model
January 2025
Department of Chemistry, Federal Institute of Education, Science and Technology of Espírito Santo, Av. Min. Salgado Filho, Vila Velha, 29106-010, Espírito Santo, Brazil.
Context: This study presents quantum chemical analysis of 14 distinct carbon-based nanostructures (CBN), ranging from simple molecules, like benzene, to more complex structures, such as coronene, which serves as an exemplary graphene-like model. The investigation focuses on elucidating the relationships between molecular orbital (MO) energies, the energy band gaps, electron occupation numbers (eON), electronic conduction, and the compound topologies, seeking to find the one that approaches most of a graphene-like structure for in silico studies. Through detailed examination of molecular properties including chemical hardness and chemical potential, we demonstrate that the electronic exchange between orbitals is directly influenced by the structural topology of the carbon-based nanostructures, as the electron occupation numbers and the molecular orbital energies.
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