Effect of Charge Compensation in the Structure, Energetics, and Dopant Distribution in Rare-Earth Element-Doped Zircon Revealed from First-Principles Calculation 来源：ACS PublicationsThe energetics of rare-earth element (REE)-substituted zircon (ZrSiO4) is investigated by combining classical molecular static and density functional theory (DFT)-based calculations. Two charge balancing mechanisms, (1) 2ZrZr× → 2REEZr′ + VO•• and (2) ZrZr ×+ SiSi×→ REEZr′ + PSi• (REE = La, Gd, and Yb), are considered. Substitutions of REE3+ increase the overall unit cell volume of zircon proportional...
Release time:
2026
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来源：ACS PublicationsTo enhance the corrosion resistance of epoxy coatings, a three-dimensional (3D) network-like europium–nickel-co-doped zinc oxide (Eu–Ni–ZnO) was synthesized via a combustion method. The unique 3D network structure physically blocks corrosive medium penetration by creating a tortuous diffusion pathway. Electronic coupling between Eu3+ 4f and Ni2+ 3d orbitals forms “charge carrier traps” that promote charge carrier separation. Oxygen vacancies further capture electrons from anodic dissolution to suppress cathodic reduction. Additionally, Ni3+ provides a strong oxidizing capabi...
Release time:
2026
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Highly Water-Dispersible Upconverting GdPO4Er3+Yb3+ Nanophosphors for Optical, Magnetic, Magnetic Hyperthermia, Anticounterfeit, and In Vitro and Ex-Vivo Multimodal Applications来源：ACS PublicationsHighly water-dispersible Er3+/Yb3+-activated GdPO4 nanophosphors were synthesized via a polyol-mediated coprecipitation route. In situ X-ray diffraction reveals a thermally induced phase transformation from hexagonal to monoclinic symmetry upon annealing between 50 and 900 °C, accompanied by a morphology evolution from nanorods to dumbbell-like structures as confirmed by HRTEM (high resolution tr...
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2026
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来源：ACS PublicationsCsPbBr3 perovskite nanocrystals have been investigated as photocatalysts for CO2 reduction owing to their excellent light-harvesting and multi-exciton generation. However, under strong illumination, Pb2+ migration and reduction to metallic Pb0 cause lattice collapse and accelerated carrier recombination, severely limiting their stability and photocatalytic performance. Here, we developed a dynamic valence regulation approach using Eu2+/Eu3+ redox couple to enhance lattice stability and improve photocatalytic performance by suppressing Pb2+ migration and Pb0 exsolution, modul...
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2026
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