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Owing to the properties of low density, large surface areas, excellent loading capacity, high permeability, and interstitial hollow spaces, hollow nanostructures have been widely applied in many important research fields, such as catalysis, drug-controlled release, confined synthesis, optics and electronics, and energy storage. This work provided a simple platform for hollow CuO nanostructure synthesis based on the surfactant controlling methodology, which is under the supposed mechanism of ion-pairing behavior at the initial nucleation stage. Thus here, we explore our system in two different directions: (1) we get different types of hollow CuO nanoparticles by controlling the surfactant concentration during the synthesis step in colloids, which is critical to the novel structure design and potential application in many different areas and (2) we explore the method to CuO hollow particle synthesis to test the hypothesis of the ion-pairing behavior during the initial nucleation by tuning the solvent ratio, cation concentration (such as NHNO addition amount difference in the synthetic step), and selective etching. By tuning the synthetic conditions as well as designing control experiments, we hope to provide a solid understanding of the crystal growth mechanism. Our improved understanding in similar systems (both CuO and ZnO systems) will make it easier for interpreting nanostructure formation in new discoveries and, more importantly, in rationally designing various complex nanostructures based on a bottom-up strategy.
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http://dx.doi.org/10.1021/acsomega.9b03380 | DOI Listing |
Chemphyschem
September 2025
Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Ave., Lemont, IL, 60439, USA.
The increasing need for rare earth separations requires a detailed understanding of trivalent ion behavior at charged aqueous interfaces. Here, neodymium (Nd) adsorption on Langmuir monolayers of octadecylphosphonic acid (ODPA), a single-chain phosphonic acid capable of double deprotonation, at the air/water interface, is investigated. Combining sum frequency generation (SFG) spectroscopy with X-ray fluorescence near total reflection (XFNTR), both the interfacial water ordering and ion density are examined.
View Article and Find Full Text PDFNanoscale
August 2025
Geochemistry Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
Ion pairing plays a crucial role in ion partitioning within various nanoconfined systems. However, much of the attention has been focused on charged nanopores, leaving many questions unanswered regarding neutral nanopores. For instance: would salt thermodynamically reside inside neutral nanopores? How does surface chemistry influence ion retention in such pores? And how does ion pairing affect the equilibrium of ions between neutral nanopores and the bulk aqueous solution? In this study, we investigate the behavior of Na and Cl ions in neutral hydrophilic gibbsite and mixed hydrophobic-hydrophilic kaolinite nanopores using molecular dynamics simulations.
View Article and Find Full Text PDFJ Phys Chem B
July 2025
Department of Chemical and Biological Engineering, The University of Alabama, Tuscaloosa, Alabama 35487, United States.
Understanding the structure and thermodynamics of solvated ions is essential for advancing applications in electrochemistry, water treatment, and energy storage. While ab initio molecular dynamics methods are highly accurate, they are limited by short accessible time and length scales whereas classical force fields struggle with accuracy. Herein, we explore the structure and thermodynamics of complex monovalent-divalent ion pairs using NaSO(aq) as a case study by applying a machine learning interatomic potential (MLIP) trained on density functional theory (DFT) data.
View Article and Find Full Text PDFSensors (Basel)
June 2025
Interdisciplinary School of Doctoral Studies, "Aurel Vlaicu" University of Arad, 2-4 Elena Drăgoi Str., 310330 Arad, Romania.
Nickel's durability and catalytic properties make it essential in the aerospace, automotive, electronics, and fuel cell technology industries. Wastewater analysis typically relies on sensitive but costly techniques such as ICP-MS, AAS, and ICP-AES, which require complex equipment and are unsuitable for on-site testing. This study introduces a novel screen-printed electrode array with 16 chemically and, optionally, electrochemically coated Au electrodes.
View Article and Find Full Text PDFJ Phys Chem B
June 2025
Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Avenida dos Estados 5001, Santo André, São Paulo CEP 09210-580, Brazil.
Reactive oxygen and nitrogen species (RONS) play pivotal roles in biological and atmospheric systems, yet their transient nature challenges experimental study. Molecular dynamics (MD) simulations offer a powerful alternative, as long as reliable molecular mechanical models are available that accurately reproduce key physical properties of the simulated species. Correct partitioning behavior is crucial for biomolecular and atmospheric chemistry simulations, where RONS interactions at interfaces─such as phospholipid membranes and water-air boundaries─underpin essential processes.
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