The ability to modulate nanoparticle (NP) assemblies with atomic precision is still lacking, which hinders us from creating hierarchical NP organizations with desired properties. In this work, a hierarchical fibrous (1D to 3D) assembly of Au NPs (21-gold atom, Au) is realized and further modulated with atomic precision via site-specific tailoring of the surface hook (composed of four phenyl-containing ligands with a counteranion). Interestingly, tailoring of the associated counterion significantly changes the electrical transport properties of the NP-assembled solids by two orders of magnitude due to the altered configuration of the interacting π-π pairs of the surface hooks. Overall, our success in atomic-level modulation of the hierarchical NP assembly directly evidences how the NP ligands and associated counterions can function to guide the 1D, 2D, and 3D hierarchical self-assembly of NPs in a delicate manner. This work expands nanochemists' skills in rationally programming the hierarchical NP assemblies with controllable structures and properties.
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http://dx.doi.org/10.1038/s41467-018-06395-8 | DOI Listing |
J Chem Theory Comput
January 2025
Guizhou Provincial Engineering Technology Research Center for Chemical Drug R&D, School of Pharmacy, Guizhou Medical University, Guiyang, Guizhou 550025, P. R. China.
Traditional machine learning methods face significant challenges in predicting the properties of highly symmetric molecules. In this study, we developed a machine learning model based on graph neural networks (GNNs) to accurately and swiftly predict the thermodynamic and photochemical properties of fullerenols, such as C(OH) ( = 1 to 30). First, we established a global method for generating fullerenol isomers through isomer fingerprinting, which can generate all possible isomers or produce diverse structural types on demand.
View Article and Find Full Text PDFRev Sci Instrum
January 2025
Erik Jonsson School of Engineering and Computer Science, The University of Texas at Dallas, Richardson, Texas 75080, USA.
We introduce a novel control mode for Scanning Tunneling Microscope (STM) that leverages di/dz feedback. By superimposing a high-frequency sinusoidal modulation on the control signal, we extract the amplitude of the resulting tunneling current to obtain a di/dz measurement as the tip is scanned over the surface. A feedback control loop is then closed to maintain a constant di/dz, enhancing the sensitivity of the tip to subtle surface variations throughout a scan.
View Article and Find Full Text PDFNanomaterials (Basel)
December 2024
Department of Chemistry, College of Arts and Sciences, Case Western Reserve University, Cleveland, OH 44106, USA.
Atomically precise gold nanoclusters (AuNCs) exhibit unique physical and optical properties, making them highly promising for targeted cancer therapy. Their small size enhances cellular uptake, facilitates rapid distribution to tumor tissues, and minimizes accumulation in non-target organs compared to larger gold nanoparticles. AuNCs, particularly Au, show significant potential in phototherapy, including photothermal (PTT), photodynamic (PDT), and radiation therapies.
View Article and Find Full Text PDFSmall
January 2025
Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou, Fujian, 350117, China.
Single-atom materials provide a platform to precisely regulate the electrochemical redox behavior of electrode materials with atomic level. Here, a multifield-regulated sintering route is reported to rapidly prepare single-atom zinc with a very high loading mass of 24.7 wt.
View Article and Find Full Text PDFMed Phys
January 2025
Department of Radiation Oncology, Inha University Hospital, Incheon, Republic of Korea.
Background: High-dose-rate (HDR) brachytherapy using Iridium-192 as a radiation source is widely employed in cancer treatment to deliver concentrated radiation doses while minimizing normal tissue exposure. In this treatment, the precision with which the sealed radioisotope source is delivered significantly impacts clinical outcomes.
Purpose: This study aims to evaluate the feasibility of a new four-dimensional (4D) in vivo source tracking and treatment verification system for HDR brachytherapy using a patient-specific approach.
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