The Langmuir–Blodgett technique has been applied to build optically homogeneous thin films of chemically solubilized single-wall carbon nanotubes (s-SWNTs) which possess good surface spreading properties at the air/water interface. Deposition can be performed in a layer-by-layer fashion up 100 or more layers either by horizontal lifting vertical dipping, allowing readily control film thickness. Their visible near-infrared absorption spectra showing characteristic features semiconducting and...

Sodium carboxymethylcellulose, an etherified derivative of cellulose, has been found to realize stable aqueous dispersion single-wall carbon nanotubes (SWNTs) that is twenty times more concentrated than when a surfactant used under the same condition. The as well thin films prepared from it exhibits well-resolved near-infrared photoluminescence peaks originating band-gap transitions in semiconducting SWNTs, sign isolated individual tubes. Mechanical stretching film strongly aligns tubes,...

Soluble, chromophore-functionalized SWNTs (SWNT-NA) have been synthesized via covalent bonding with minimal alteration to the characteristic one-dimensional electronic states of SWNTs. The key step in molecular design includes incorporating a naphthalimide fluorescent moiety onto amidation oxidatively etched SWNTs, where solubility product is brought about by N-octadecyl groups that are attached naphthalimide. SWNT-NA can be fabricated into in-plane aligned thin films using Langmuir–Blodgett...

This Article describes a unique approach to building silsesquioxane nanoassemblies based on the Langmuir−Blodgett (LB) technique. Poly(N-dodecylacrylamide-co-3-methacryloxypropyl-T8-heptatrifluoropropyl (or heptaphenylpropyl) POSS)s (p(DDA/SQ)s) were synthesized through free radical copolymerization using propyl methacrylate-substituted polyhedral oligomeric (POSS) monomers containing seven nonreactive trifluoropropyl or phenyl groups (R7(Si8O12)(CH2CH2CH2OCOCH3C═CH2) (where R is either...

The authors report the effect of ultraviolet (UV) illumination on optical properties single-wall carbon nanotubes (SWCNTs) isolated using various dispersants. It is demonstrated that even weak UV light (∼1mW∕cm2) can irreversibly alter SWCNT structure, thus resulting in emergence hitherto unknown, redshifted photoluminescence (PL) peaks with concomitant reduction some original PL peaks. These UV-induced changes are characterized detail and attributed to creation midgap centers.

We report that single-walled nanotube (SWNT) films with precisely controlled thicknesses and transmittances can be produced through the doctor-blade method using SWNT–polymer inks. The matrix polymer around SWNTs were successfully removed by either solution curing or photonic at room temperature, which are advantageous processes enabling direct film formation on plastic substrates. Sheet resistances as low 68–240 Ω/sq T=89–98% obtained. Furthermore, SWNT poly(ethylene naphthalate) exhibited...

Abstract Most graph neural networks (GNNs) in deep‐learning chemistry collect and update atom molecule features from the fed (and, some cases, bond) features, basically based on two‐dimensional (2D) representation of 3D molecules. However, 2D‐based models do not faithfully represent molecules their physicochemical properties, exemplified by overlooked field effect that is a “through‐space” effect, “through‐bond” effect. We propose GNN model, denoted as MolNet, which accommodates non‐bond...

Electronic interaction between SWNTs and covalently linked π-chromophores is shown to critically depend on the bond length. A shorter link results in considerable changes absorption luminescence spectra of chromophore. The suggest that design bonding structure enables tuning electronic chromophores.

Abstract The relentless quest for sustainable and efficient energy storage solutions has propelled sodium‐ion batteries (SIBs) to the forefront of research development in realm rechargeable batteries. This mini review delves into intricate interfacial kinetics Na ion transfer within SIBs, with a special focus on carbon‐based negative electrode/electrolyte interfaces. By synthesizing insights from myriad studies encompassing experimental theoretical analyses, we illuminate critical role...

Abstract This work proposes the data augmentation by molecular rotation, with consideration that protein‐ligand binding events are rotation‐variant. As a proof‐of‐concept, known active (i. e., 1‐labeled) ligands to human β‐secretase 1 (BACE‐1) rotated for generation of 0‐labeled data, and rotation‐dependent prediction accuracy 3D graph convolutional network (3DGCN) is investigated after augmentation. The makes orientation‐recognizing ability 3DGCN improved significantly in classification...

Serotonin (5-HT) is a significant neurotransmitter involved in the regulation of mood, social behavior, depression, and other neurological activities. In this work, we synthesized nitrogen-doped carbon dots using naturally occurring amino acids such as L-aspartic acid L-cysteine by employing one-step hydrothermal reaction. The acid-derived (CDs) are called AACDs. as-synthesized AACDs showed strong blue-color emission under UV light photoluminescence (PL) maximum wavelength at 457 nm with an...

3D graph convolutional network (3DGCN) is a neural (GNN) variant that utilizes the bond information on molecules for chemical tasks. In 3DGCN, pooling operation extracts molecular features from atomic molecule embedding and dimensionality reduction. this work, we investigated effects performance of 3DGCN in classification protein–ligand binding events, especially when ligand rotated with respect to target protein Cartesian coordinate. showed general ability recognizing rotation, its...

The graph neural network (GNN) has been a powerful deep-learning tool in chemistry domain, due to its close connection with molecular graphs. Most GNN models collect and update atom molecule features from the fed (and, some cases, bond) features, which are basically based on two-dimensional (2D) representation of 3D molecules. Correspondingly, adjacency matrix, containing information covalent bonds, or equivalent data structures (e.g., lists) have main core feature-updating processes, such...

This study reports a fiber-shaped asymmetric supercapacitor (f-ASC) made from carbonized fluorinated polyimide deposited onto carbon fiber (c-fPI@CF) as negative electrode coupled with cobalt oxide-embedded c-fPI@CF (Co3O4@c-fPI@CF) positive electrode. The thermal decomposition of fPI evolves gases, mostly stemming the fluorine-containing moiety (–CF3) fPI. process leads to formation distinct microporous structure characterized by small graphitic regions and high specific surface area 1017...