Amphiphilic, linear conjugated poly[p-{2,5-bis(3-propoxysulfonicacidsodiumsalt)}phenylene]ethynylene (PPES) efficiently disperses single-walled carbon nanotubes (SWNTs) under ultrasonication conditions into the aqueous phase. Vis-NIR absorption spectroscopy, atomic force microscopy (AFM), and transmission electron microscopy (TEM) demonstrate that these solubilized SWNTs are highly individualized. AFM and TEM data reveal that the interaction of PPES with SWNTs gives rise to a self-assembled superstructure in which a polymer monolayer helically wraps the nanotube surface; the observed PPES pitch length (13 +/- 2 nm) confirms structural predictions made via molecular dynamics simulations. This work underscores design elements important for engineering well-defined nanotube-semiconducting polymer hybrid structures.
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http://dx.doi.org/10.1021/nl8032334 | DOI Listing |
Phys Chem Chem Phys
January 2025
School of Mechanical & Vehicle Engineering, Linyi University, Linyi, Shandong 276000, China.
Molecular dynamics simulations demonstrate that regular conical helices of poly(-phenylene) (PPP) chains can be constructed inside the confined space of single-walled carbon nanocones (CNCs). The translocation displacement of the PPP chain combined with the change of the system total potential energy including each energy component and structural parameters of the formed conical helix is discussed to deeply explore the microstructure evolution, driving forces and dynamic mechanisms. In addition, the influence of chain length, cone angle, temperature, chain number, linked position of benzene rings and the form of Lennard-Jones potential on the helical encapsulation is further studied.
View Article and Find Full Text PDFEnviron Toxicol Chem
January 2025
School of Environmental Science and Engineering, Nanjing University of Information Science and Technology, Nanjing, PR China.
In silico methods are increasingly important in predicting the ecotoxicity of engineered nanomaterials (ENMs), encompassing both individual and mixture toxicity predictions. It is widely recognized that ENMs trigger oxidative stress effects by generating intracellular reactive oxygen species (ROS), serving as a key mechanism in their cytotoxicity studies. However, existing in silico methods still face significant challenges in predicting the oxidative stress effects induced by ENMs.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
Department of Materials Science, Tokai University, Hiratsuka 259-1292, Kanagawa, Japan.
Semiconducting single-walled carbon nanotubes (SWCNTs) are significantly attractive for thermoelectric generators (TEGs), which convert thermal energy into electricity via the Seebeck effect. This is because the characteristics of semiconducting SWCNTs are perfectly suited for TEGs as self-contained power sources for sensors on the Internet of Things (IoT). However, the thermoelectric performances of the SWCNTs should be further improved by using the power sources.
View Article and Find Full Text PDFPolymers (Basel)
January 2025
Department of Materials Science and Engineering, Gachon University, Seongnam 13120, Republic of Korea.
Single-walled carbon nanotubes (SWNTs) exhibit distinct electronic properties, categorized as metallic or semiconducting, determined by their chirality. The precise and selective separation of these electronic types is pivotal for advancing nanotechnology applications. While conventional gel chromatography has been widely employed for large-scale separations, its limitations in addressing microscale dynamics and electronic-type differentiation have persisted.
View Article and Find Full Text PDFMolecules
December 2024
Department of Chemical Systems Engineering, Graduate School of Engineering, Nagoya University, Nagoya 464-8603, Japan.
Perovskite solar cell (PSC) technology holds great promise with continuously improving power conversion efficiency; however, the use of metal electrodes hinders its commercialization and the development of tandem designs. Although single-walled carbon nanotubes (SWCNTs), as one-dimensional materials, have the potential to replace metal electrodes in PSCs, their poor conductivity still limits their application. In this study, the near-infrared (NIR)-absorbing anionic heptamethine cyanine dye-doped SWCNTs functioned in a dual role as an efficient charge-selective layer and electrode in PSCs.
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