来源：ACS PublicationsEfficient and green separation of rare earth elements (REE) remains a critical challenge, with conventional solvent extraction relying heavily on toxic organic solvents. Herein, three biomimetic peptides (NF-H1, NF-H2, and NF-H3) integrating the Nap-FF hydrophobic assembly motif with EF-hand-derived REE-recognition sequences were designed for fully aqueous REE separation. The peptides form stable, preassembled β-sheet scaffolds via Nap-FF-mediated hydrophobic interactions and intermolecular hydrogen bonding, within which specific coordination of RE3+ with EF-hand side-chain ...
Release time:
2026
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来源：ACS PublicationsRare-earth activation in oxide thin films is often optimized empirically, although excitation-dependent upconversion (UC) is ultimately constrained by the near-surface energetic landscape and defect-mediated screening. Here, we identify a quantitative correlation that links defect chemistry and surface electrostatics to UC saturation kinetics in BaTiO3-based thin films. By combining XPS (high-binding-energy O 1s fraction and valence-band offsets), Kelvin probe force microscopy (contact potential difference and work function), Raman-Fano analysis (vibronic asymmetry), and exc...
Release time:
2026
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09
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Electronic Pre-Activation of −COOH Ligands by O–H···O in Natural Deep Eutectic Solvents for Enhanced Rare-Earth Coordination: A Quantum-Chemical Study 来源：ACS PublicationsNatural deep eutectic solvents (NaDESs) are commonly regarded as passive solvation media. However, their local hydrogen bonds may act as electronically structured environments that can perturb embedded ligands. Herein, using quantum-chemical analysis, finite-cluster calculations suggest that selected O–H···O motifs can polarize RCOOH in a manner consistent with partial RCOO– like redistribution. T...
Release time:
2026
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08
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来源：ACS PublicationsGiven the importance of rare-earth complexes in small-molecule activation, such as dinitrogen reduction, a comprehensive understanding of their bonding properties and interactions is crucial. However, a lack of knowledge of 4f interactions may limit further development of lanthanide compounds. Herein, the electronic structures of 30 rare-earth dinitrogen complexes (Ln2N2) were investigated by the all-electron DFT method. The CASSCF/NEVPT2 method was also employed to determine stable states. The predicted anomalous trend of Ln2N2 complexes was found to be under the control of...
Release time:
2026
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