Prediction and Rationalization of Site Preference of Rare Earth Elements in Fluorapatite from Density Functional Theory 来源：ACS PublicationsFluorapatite (FAp, nominally Ca10(PO4)6F2) has been identified as an important host material for rare earth elements and yttrium (REY) in marine sediments. REY can be accommodated in either the larger 6+3 coordinated Ca1 site or the smaller 6+1 coordinated Ca2 site, yet little is known about the site preference of REY through the lanthanide series despite its importance for understanding REY enrichment processes in FAp. Theoretical investigations based...
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2025
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Dialdehyde Chitosan/Semicarbazide Synthesis for Lanthanum, Cerium, and Neodymium Ions Recovery from Phosphate Leachate 来源:ACS PublicationsRare earth elements are among the world’s most crucial strategic minerals. Cell phones, lamp lights, televisions, wind turbines, and other contemporary electronics rely heavily on rare earth elements. As a result, this work aimed to prepare eco-friendly dialdehyde chitosan with semicarbazide (SC/DiACs), a promising method for recovering lanthanum, cerium, and neodymium from phosphate leach solution. Different analytical techniques were utilized t...
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2025
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Combination Diagnostics In Vivo: Dual-Mode Ultrasound/NIR Fluorescence Imaging with Neodymium- and Thulium-Doped Graphene Quantum Dots 来源：ACS PublicationsThe combination of two biomedical imaging techniques, fluorescence and ultrasound imaging, can uniquely offer enhanced anatomical visualization, sensitivity, and specificity necessary for improved diagnostic accuracy in detecting small tumors, tracing therapeutic delivery, and guiding biopsies. This work aims to harness the advantages of highly deterministic fluorescence imaging and deeply penetrating ultrasound diagnostics in neodymium-...
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2025
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来源：ACS PublicationsWe report ground states, equilibrium structures, and both electronic and electron paramagnetic resonance (EPR) spectra of divalent rare-earth metallocenes Ln(CpiPr5)2 as obtained from scalar and exact two-component (X2C) relativistic density functional theory (DFT) calculations. While the results for metallocenes with Ln = Nd, Sm, Eu, Tm, and Yb are consistent with a conventional (4f)n+1 configuration of the metal atom, metallocenes with Ln = La, Ce, Gd, and Lu are best described as having (4f)n(5d)1 ground states. Strong configuration mixing is observed for Ln = Pr; for Ln ...
Release time:
2025
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