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Insights into the adsorption mechanisms of VOCs molecules on non-oxidized and oxidized SnO (110) monolayer: DFT analysis.
J Mol Model
January 2025
Laboratory of Nanostructures and Advanced Materials, Mechanics and Thermofluids, Faculty of Sciences and Technologies, Hassan II University of Casablanca, B.P 146, 20650, Mohammedia, Morocco.
Context: Designing efficient sensitive materials for the detection of volatile organic compounds (VOCs) such as ethanol, acetone, and benzene is stringent owing to the significant environmental and health risks induced by these compounds, in addition to their role as biomarkers for chronic diseases and food quality. This study investigates the adsorption mechanisms of VOC molecules (ethanol, acetone, and benzene) on both non-oxidized and oxidized SnO (110) monolayers and identifies the most suitable surface for gas sensing applications. For this, we examined structural properties, adsorption energies, density of states, gas responses, and recovery times.
View Article and Find Full Text PDFTime-Dependent Growth of ZnO Nanowires: Unveiling Antibacterial and Photocatalytic Properties.
Langmuir
January 2025
ESYCOM, CNRS-UMR 9007, Université Gustave Eiffel, F-77454 Marne-la-Vallée, France.
This study investigates the synthesis, characterization, and functional properties of well-aligned zinc oxide (ZnO) nanowires (NWs) obtained by a two-step hydrothermal method. ZnO NWs were grown on silicon substrates precoated with a ZnO seed layer. The growth process was conducted at 90 °C for different durations (2, 3, and 4 h) to examine the time-dependent evolution of the nanowire properties.
View Article and Find Full Text PDFPhotocatalytic detoxification of a sulfur mustard simulant using donor-enhanced porphyrin-based covalent-organic frameworks.
Nanoscale
January 2025
Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory of Function Materials for Molecule & Structure Construction, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, P. R. China.
Photocatalytic detoxification of sulfur mustards (, bis (2-chloroethyl) sulfide, SM) is an effective approach for protecting the ecological environment and human health. In order to fabricate COFs with high performance for the selective transformation of the SM simulant 2-chloroethyl ethyl sulfide (CEES) to nontoxic 2-chloroethyl ethyl sulfoxide (CEESO), three porphyrin-based COFs with different donor groups (R = H, OH, and OMe) were synthesized. Among these COFs, COF-OMe, which possesses the strongest electron-donating ability, demonstrated a faster and higher detoxification rate of CEES at various concentrations, achieving selective oxidation of CEES to non-toxic CEESO with 99.
View Article and Find Full Text PDFSynthesis and characterization of heterotrimetallic Mg-Ni-Mg complexes with amidinato ligands.
Dalton Trans
January 2025
Key Laboratory of Organic Synthesis of Jiangsu Province, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, P. R. China.
Treatment of amidinato-based magnesium ethyl compounds LMgEt [L = PrPNC(Bu)NAr; Ar = 2,6-PrCH (La) or 2,6-(PhCH)-4-Pr-(CH) (Lb)] with Ni(COD) (COD: 1,5-cyclooctadiene) afforded heterotrimetallic Mg-Ni-Mg complexes [(LMg)Ni(CH)] through β-H elimination. These complexes exhibit approximately linear Mg-Ni-Mg linkage with the central nickel arranged in a planar configuration; the Ni(CH) unit can be considered as nickela-bis-cyclopropane. Reaction of [(LMg)Ni(CH)] with tetrahydrofuran (THF) gave a coordination product [(LMg·THF)Ni(CH)], in which the central structure remained intact and THF coordinated to two magnesium atoms respectively.
View Article and Find Full Text PDFOmnidirectional 3D Printing of PEDOT: PSS Aerogels with Tunable Electromechanical Performance: A Playground for Unconventional Stretchable Interconnects and Thermoelectrics.
Adv Sci (Weinh)
January 2025
Department of Materials Engineering, KU Leuven, Kasteelpark Arenberg 44, Leuven, 3001, Belgium.
The next generation of soft electronics will expand to the third dimension. This will require the integration of mechanically compliant 3D functional structures with stretchable materials. Here, omnidirectional direct ink writing (DIW) of poly(3,4-ethylenedioxythiophene): polystyrene sulfonate (PEDOT:PSS) aerogels with tunable electrical and mechanical performance is demonstrated, which can be integrated with soft substrates.
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