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Unlocking stable iodine capture in 2D COFs: insights from DFT combined with multiscale−descriptors−driven machine learning
Abstract As the reliance on nuclear energy increases, so does the need to address the environmental risks posed by radioactive iodine isotopes, making the development of efficient adsorbents critical. This study systematically investigates the adsorption mechanisms of radioactive iodine on two−dimensional covalent organic frameworks (2D COFs) using a combined approach of density functional theory (DFT) and machine learning (ML).
Electron‐Rich Cobalt Doping Engineered Dipole Moments in Delafossite CuFeO2 Nanosheets for High‐Efficiency Solar Hydrogen Production
Conflict of Interest The authors declare no conflict of interest. Supporting Information Filename Description cssc70089-sup-0001-SuppData-S1.pdf1.8 MB Supplementary Material References 1, , , , , , , Appl. Catal. B. Environ. 2019, 245, 439. 2, , , , , , , , , , Joule. 2021, 5, 1041. 3, , , , , , , , , Nano Energy. 2024, 123, 109341. 4, , , , , , , , , Electrochim. Acta. 2025, 513, 145587. 5, , Chem. Rev. 2020, 120, 919. 6, , , , , , J. Mater. Chem. A. 2025, 13, 2836. 7, , , Adv. Energy Mater. 2023, 13, 2203720.
High density facet junctions in nano-stepped CuFeO2 enable efficient charge separation for selective photocatalytic CO2 reduction to CH4
High density facet junctions in nano-stepped CuFeO2 enable efficient charge separation for selective photocatalytic CO2 reduction to CH4† Facet junctions have been demonstrated to be effective in promoting the separation of photoinduced charges. However, the micro-size of photocatalysts with a limited density of facet junctions usually hinders the improvement of photocatalytic performance.
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