来源：ACS PublicationsOxygen vacancies strongly influence the electronic properties of rare-earth nickelates, enabling the control of their metal–insulator transition (MIT). Here we adopt density functional theory (DFT), DFT + U, and dynamical mean field theory (DMFT) combined with DFT to study the vacancy-induced MIT and diffusion in LaNiO3. A symmetry-adapted configurational ensemble approach allows the systematic treatment of distinct vacancy geometries. We find that triple vacancy structures in LaNiO2.5 can yield either metallic or insulating states depending on the local Ni–O coordination, i...
Release time:
2026
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来源：ACS PublicationsWe report the first inverse-sandwich complexes containing rare earth (REIII) metal ions that captured a toluene dianion between them. Toluene-bridged complexes [{(Me3Si)2NC(NiPr)2}2RE]2(μ-η6:η6-C6H5Me) (RE = Y (1), Dy (2), and Er (3)) were synthesized via chemical reductions of chloride-bridged RE complexes in which each tripositive metal is stabilized by two guanidinate ligands. Compounds 1–3 were unambiguously characterized by crystallography, NMR, UV–vis, and IR spectroscopy, magnetometry, and computations. The bond metrics from single-crystal X-ray diffraction analysis r...
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2026
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来源：ACS PublicationsThe rapid proliferation of garment-embedded electronics and the growing demands for effective electromagnetic interference shielding have spurred the development of innovative materials that are lightweight, wearable, and multifunctional. In this work, a ceria/graphene/poly(vinyl alcohol)/cotton composite is fabricated using a simple dip-coating technique to produce flexible and lightweight EMI shielding fabrics. The composite’s structural, chemical, and morphological features were thoroughly examined using XRD, FTIR, Raman spectroscopy, FE-SEM, and elemental mapping, confir...
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2026
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来源：ACS PublicationsA diamide ligand featuring a [2.2]paracyclophane (CP) backbone was synthesized and introduced to the coordination and organometallic chemistry of rare-earth metals. Alkane elimination and salt metathesis reactions were employed to prepare rare-earth metal benzyl and iodide complexes supported by the CP-derived diamide ligand. In addition, heteronuclear naphthalene dianion complexes were synthesized by the reduction of the rare-earth metal iodides. All new compounds were characterized by X-ray crystallography, elemental analysis, 1H and 13C nuclear magnetic resonance spectros...
Release time:
2026
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