来源：ACS PublicationsYb vacancy color centers on diamond (110) surfaces are promising candidates for long-coherence solid-state qubits and scalable quantum networks. However, their performance is strongly affected by surface termination, where the mechanism of charge redistribution and its impact on defect dynamics remain unclear. Here, we combine first-principles calculations and machine-learning molecular dynamics (MLMD) to systematically study F-, H-, N-, and O-terminated surfaces. The results reveal that the electronegativity of the terminating atom governs interfacial charge rearrangement, ...
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2026
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Ab Initio Approach to the Temperature-Dependent Coupled Substitution of Rare Earth Elements (REE) into Fluorapatite using Halide (F, Cl), Monazite, Bastnäsite, and Aqueous REE Sources 来源：ACS PublicationsRare earth elements are crucial for developing alternative energy sources, such as batteries, for current and future applications. Mineral exploration and processing rely on thermodynamic models, which require accurate properties for all of the involved minerals and solutes. Modeling REE deportment in geological and engineered systems is challenging due to their tendency to occur in trace ...
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2026
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来源：X-MOLThermochemical energy storage (TCES) systems are gaining widespread consideration to increase the dispatchability of renewable energies. Reduction/oxidation of metal oxides has the advantage that air can be used during both reaction steps, simplifying the process scheme. Copper oxide is an interesting candidate, thanks to its high reaction heat and low toxicity, but it suffers from strong sintering at high temperatures because of the low melting point of Cu2O. This work investigates the use of copper/cerium mixed oxides to reduce sintering phenomena, in order to allow their use in TCES...
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2026
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来源：X-MOLLanthanum, a rare earth element that is relatively common in the earth's crust. Its role in plant-pathogen interactions, particularly with root-knot nematodes, remains to be investigated. To address this lack of knowledge, tomato plants were treated with different concentrations of LaCl3 (20 μM, 40 μM, 60 μM, and 100 μM), and the day after, they were inoculated with root-knot nematode. The highest reduction in the number of galls and nematodes was recorded when LaCl3 was treated at a concentration of 100 μM, and the experiment was repeated twice independently. The time line monitor...
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2026
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