Single-walled carbon nanotubes (SWNTs) possess extraordinary electrical properties, with many possible applications in electronics. Dense, horizontally aligned arrays of linearly configured SWNTs represent perhaps the most attractive and scalable way to implement this class of nanomaterial in practical systems. Recent work shows that templated growth of tubes on certain crystalline substrates yields arrays with the necessary levels of perfection, as demonstrated by the formation of devices and full systems on quartz. This paper examines advanced implementations of this process on crystalline quartz substrates with different orientations, to yield strategies for forming diverse, but well-defined horizontal configurations of SWNTs. Combined experimental and theoretical studies indicate that angle-dependent van der Waals interactions can account for nearly all aspects of alignment on quartz with X, Y, Z, and ST cuts, as well as quartz with disordered surface layers. These findings provide important insights into methods for guided growth of SWNTs, and possibly other classes of nanomaterials, for applications in electronics, sensing, photodetection, light emission, and other areas.
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http://dx.doi.org/10.1021/nl9025488 | DOI Listing |
Small Methods
January 2025
Nano Hybrid Technology Research Center, Electrical Materials Research Division, Korea Electrotechnology Research Institute (KERI), Changwon, 51543, Republic of Korea.
The conventional carbonization process for synthesizing hard carbons (HCs) requires high-temperature furnace operations exceeding 1000 °C, leading to excessive energy consumption and lengthy processing times, which necessitates the exploration of more efficient synthesis methods. This study demonstrates the rapid preparation of HC anodes using intense pulsed light (IPL)-assisted photothermal carbonization without the prolonged and complex operations typical of traditional carbonization methods. A composite film of microcrystalline cellulose (MCC) and single-walled carbon nanotubes (SWCNTs) is carbonized at high temperatures in less than 1 min.
View Article and Find Full Text PDFACS Nano
January 2025
Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States.
Controlling charge transport at the interfaces of nanostructures is crucial for their successful use in optoelectronic and solar energy applications. Mixed-dimensional heterostructures based on single-walled carbon nanotubes (SWCNTs) and transition metal dichalcogenides (TMDCs) have demonstrated exceptionally long-lived charge-separated states. However, the factors that control the charge transport at these interfaces remain unclear.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Departamento de Física, Instituto de Física e Matemática, Universidade Federal de Pelotas, Caixa Postal 354, Pelotas, Brazil.
Water is a fundamental component of life, playing a critical role in regulating metabolic processes and facilitating the dissolution and transport of essential molecules. However, emerging contaminants, such as pharmaceuticals, pose significant challenges to water quality and safety. Nanomaterial-based technologies emerge as a promising solution for removing those contaminants from water.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Chemistry and Biochemistry, The University of Texas at El Paso, El Paso, Texas 79968, United States.
In this work, we describe a computational tool designed to determine the local dielectric constants (ε) of charge-neutral heterogeneous systems by analyzing dipole moment fluctuations from molecular dynamics (MD) trajectories. Unlike conventional methods, our tool can calculate dielectric constants for dynamically evolving selections of molecules within a defined region of space, rather than for fixed sets of molecules. We validated our approach by computing the dielectric constants of TIP3P water nanospheres, achieving results consistent with literature values for bulk water.
View Article and Find Full Text PDFPhys 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.
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