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This study investigates the limited selectivity of the Cu111 surface for C-C bond formation during CO reduction and explores the factors influencing selectivity using Cu nanoparticles smaller than 2 nm. The optimal nanoparticle size for C-C bond formation on the 111 facet with minimal overpotential is determined using density functional theory. A suitable supporting surface to enhance the stability and catalytic performance of the Cu-based nanoparticles is identified. Various Cu catalyst geometries, including planar surfaces and cuboctahedral, icosahedral, and truncated octahedral Cu nanoparticles, are considered. Size-dependent effects on the binding energies of reaction intermediates and hydrogen atoms are examined. Carbon-based surfaces, particularly 2SO-doped graphene nanoribbons, are stable hosts for the Cu nanoparticles and help in retaining the activity for CO reduction. Scaling relations between the binding energies of the intermediates suggest COOH binding energy as an energy descriptor. Through multiparameter optimization and with the help of parity line and graphical construction, Cu and Cu are found to be the most promising surface for C2 product generation. This study provides insights into the factors influencing the selectivity and catalytic performance of Cu nanoparticles, aiding the development of efficient catalysts for CO reduction.
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http://dx.doi.org/10.1039/d4nr03567d | DOI Listing |
Ann Work Expo Health
December 2024
TNO Research Group Risk Analysis for Prevention, Innovation and Development, Princetonlaan 6, PO Box 80015, Utrecht 3584 CB, The Netherlands.
This article describes the development of a Safe-by-Design (SbD) module and its integration into an easy-to-use tool, named the Nano Exposure Quantifier-Safe-by-Design (NEQ-SbD) tool. The NEQ-SbD tool guides its user to lower the exposure to nanomaterials at the worksite where nanomaterials are manipulated or handled during a wide range of activities. This allows the tool user with an informed decision to assess airborne exposure and to select, compare, and identify appropriate risk management measures (RMM).
View Article and Find Full Text PDFAnal Chem
December 2024
Department of Analytical Chemistry, Physical Chemistry and Chemical Engineering, University of Alcalá, E-28802 Madrid, Spain.
Here, we present three-dimensional-printed dual-channel flow-through miniaturized devices (3D) with dual electrochemical detection (ED) integrating two working electrodes each in an in-channel configuration (3D-ED). Prussian Blue (PB) shell-gold nanoparticles ((PB)AuNP) core-based electrochemistry was chosen for selective hydrogen peroxide determination. 3D-ED devices exhibited impress stability, identical intrachannel and interchannel electrochemical performances, and excellent interdevice precision with values under 9%, revealing the reliability of the design and fabrication of the devices.
View Article and Find Full Text PDFWei Sheng Yan Jiu
November 2024
West China School of Public Health, Sichuan University, Chengdu 610041, China.
Objective: To explore the possible mechanism of absorption of iron oxide nanoparticles into the human body through the gastrointestinal tract.
Methods: This article used Caco-2 monolayer cells as a cell model, prepared characterized iron oxide nanoparticles(Fe_2O_3 NPs) as suspensions, and intervened in Caco-2 cells. CCK-8 method, transwell method, and atomic spectrophotometer method were used to explore the effect of Fe_2O_3 NPs on the activity of Caco-2 cells and the absorption and transport of them through the Caco-2 monolayer cell model.
Acta Biomater
December 2024
Department of Pharmaceutics, School of Pharmacy, Qingdao University, Qingdao 266021, China. Electronic address:
Platinum (Pt)-based anticancer agents exhibit a lack of selectivity in the treatment of osteosarcoma, resulting in significant toxicity. Furthermore, immune surveillance withinthe tumor microenvironment impedes the uptake of platinum drugs by osteosarcoma cells. To overcome these challenges, an oxaliplatin-based Pt prodrug amphiphile (Lipo-OXA-ALN) was designed and synthesized by incorporatingan osteosarcoma-targeting alendronate (ALN) alongside a lipid tail.
View Article and Find Full Text PDFACS Nano
December 2024
Institute of Molecular Plus, Tianjin University, Tianjin 300072, China.
Alloy nanocatalysts exhibit enhanced activity, selectivity, and stability mainly due to their versatile phases and atomic structures. However, nanocatalysts' "real" functional structures may vary from their as-synthesized status due to the structural and chemical changes during the activation and reaction conditions. Herein, we studied the activated CuPd/CeO nanocatalysts under the CO oxidation reaction featuring an atomic-scale phase separation process, resulting in a notable "hysteresis" in catalyst performance.
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