来源：ACS PublicationsThe advancement of polymer electrolyte fuel cells (PEFCs) relies on materials capable of enhancing electrochemical performance while maintaining long-term operational stability. Rare earth elements (REEs), characterized by partially filled 4f orbitals, tunable redox chemistry, and oxygen vacancy formation, have emerged as effective modifiers for both polymer electrolyte membranes and electrode catalysts. Their incorporation enables improved proton transport, optimized water management, and modulation of fuel oxidation and oxygen reduction reactions through electronic structu...
Release time:
2026
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08
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10
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来源：ACS PublicationsThe first ab initio simulation of Magneto-Chiral Dichroism (MChD) for a lanthanide-based complex is reported. The previously experimentally studied [Yb(hfac)3(P–H6bpy)] complex is investigated with multireference wavefunction-based methods using complete active space self-consistent field (CASSCF) calculations, further refined by second-order perturbation theory (CASPT2) and state-interaction spin–orbit approach (RASSI-SO), in combination with the microscopic MChD theory developed by Barron and Vrbancich (BV). The simulations enable a detailed analysis of the 2F5/2 ← 2F7/2 e...
Release time:
2026
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来源：ACS PublicationsAlkaline earth metal deposition is a key deactivation issue for Hg0 removal adsorbents in coal-fired flue gas, yet its influence on Co-based adsorbents remains insufficiently understood. In this work, Ca- and Mg-poisoned Ce–Bi–Co adsorbents were prepared by impregnation, solid-state diffusion, and dry mixing to simulate different deposition modes. The effects of metal species, poisoning route, loading level, and SO2 coexistence on Hg0 removal were examined in a fixed-bed reactor. Characterization results showed a uniform distribution of Co, Ce, and Bi and a mesoporous textur...
Release time:
2026
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来源：ACS PublicationsGiven the complex media of ocean water, facile determination of HCO3– concentration in situ remains difficult. Herein, we report the development of an indicator displacement probe to quantify HCO3– at levels relevant to ocean water. The probe has high selectivity for HCO3– over competing ions (Cl–, Na+, SO42–, Mg2+, Ca2+) for facile and accurate in situ measurements.
Release time:
2026
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