Ionic conductivity in solids is a topic of great interest in the fields of physics, materials science, and energy applications. Previous studies have primarily focused on the activation energy of ion transport based on classical transition state theory, lacking considerations from the perspective of nuclear quantum effects. Herein, by considering the effects of zero-point energy and quantum tunneling, we examine the quantum behaviors of hydrogen migration in lanthanum trihydrides (LaH3), through the two dominant pathways-concerted migration and single-ion migration. Our first-principles calculations based on instanton rate theory indicate that the quantum rate constants diverge significantly from their classical counterparts at low temperatures. We predict that quantum tunneling becomes dominant over thermal diffusion for concerted hydrogen migration at liquid nitrogen temperature, and emerges even at room temperature when concerted transport is suppressed. We also demonstrate the tuning of migration rates by strain, and the sensitivity of the quantum tunneling rate to the energy barrier geometry. Our findings depict a complete quantum picture of hydrogen transport in lanthanide hydrides and provide a new perspective on ionic conductivity of solid materials.
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Niobium (Nb) is a strategically critical metal with geographically concentrated global reserves that are hosted mainly in carbonatite-related deposits. The Bayan Obo deposit in northern China is the world's largest rare earth element (REE) resource, and also represents one of the most significant global Nb reserves. However, the timing and origin of Nb mineralization are still poorly constrained due to the complex multi-stage geological evolution (>1 Gyr) and diversity of Nb minerals in the deposit. Here we present the first detailed in situ SIMS Pb-Pb isotopic dating study of aeschynite, which is the dominant Nb mineral among more than 30 Nb minerals and accounts for >30% of the Nb resource in the Main and East orebodies of the Bayan Obo deposit. Eleven of the 12 samples of various ore types and orebodies yielded consistent Early Paleozoic ages between 402 ± 43 and 449 ± 56 Ma (weighted mean = 429 ± 11 Ma), indicating a regionally widespread Nb mineralization event. Integration of these new aeschynite ages with petrographic observations and previously published geochronological data demonstrates that Nb mineralization in the Main and East orebodies at Bayan Obo was controlled mainly by Early Paleozoic carbonatite-derived hydrothermal fluids. The remaining aeschynite sample yielded an age of 291 ± 55 Ma, which is interpreted to record isotopic resetting related to Permian granitic plutonism rather than a distinct mineralization event.
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The rapid advancement of energy storage technologies has spurred the search for advanced anode materials for alkali metal-ion batteries (AMIBs). Black phosphorus (BP), a layered phosphorus allotrope whose few-layer form (phosphorene) is a two-dimensional (2D) material, has garnered significant attention due to its high theoretical capacity (∼2596 mAh g-1), favorable ion-transport properties, and tunable electronic structure, making it an attractive anode candidate for AMIBs. However, practical implementation is hindered by air/moisture instability, large alloying-induced volume changes, and unstable solid electrolyte interphase (SEI) formation. This review summarizes recent progress in engineering BP for AMIB anodes. BP's structural and physicochemical properties, representative synthesis/exfoliation routes, and alkali metal-ion storage mechanisms are first outlined. Composite and interfacial engineering strategies, including carbon integration, metallic reinforcement, transition-metal-compound hybrids, polymer encapsulation, metal-organic framework (MOF)/covalent organic framework (COF) frameworks, and few-layer BP-based composites, are then highlighted to regulate charge/ion transport, buffer mechanical strain, and stabilize SEI evolution. These advances are discussed in two parts, focusing on Li-ion systems and then extending to Na/K-ion batteries. Finally, we outline remaining challenges and future opportunities toward scalable, durable, and high-performance BP-based anodes for next-generation AMIBs.
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The practical application of LiNiO2 (LNO) is hindered by structural failures such as microcrack propagation and rock-salt phase accumulation, caused by its high reactivity. This study proposes an oxygen vacancy-driven (OVD) strategy, constructing a coherent interface with a Li-containing Ti-doped rock-salt phase on the surface of LNO particles, while introducing a uniform mixed coating layer of TiO2 and carbon. Unlike electrochemically inert NiO phase, this Li-containing Ti-doped rock-salt phase exhibits high electronic and ionic conductivities, alleviating the anisotropic stress accumulation and suppressing further rock-salt phase formation during cycling. The TiO2 coating reduces parasitic side reactions at the cathode-electrolyte interface, while the carbon coating further enhances electron transport. As such, OVD-LNO demonstrates exceptional cycling and rate properties, achieving capacity retention of 83.0% after 400 cycles at 1 C and maintaining 188.3 mAh g-1 at 5 C. This pre-constructed rock-salt phase interface modification strategy opens a new pathway for developing high-capacity, long-life cathodes.
The integration of metasurface with resonant structural features on metal-organic frameworks (MOF) materials provides a promising strategy for the breakthroughs in achieving nonlinear optical (NLO) amplification but has not yet been reported. Herein, metasurface MOF (Cu-PcCu) films composed of phthalocyanine ligand were successfully fabricated by combining metasurface nanoarrays template and liquid phase epitaxial layer-by-layer strategies. Compared to flat MOF films, the metasurface MOF film exhibits greatly enhanced broadband superabsorption and amplified third-order NLO effects across the visible to near-infrared spectral regions. Notably, the third-order nonlinear absorption coefficients (β) of the metasurface MOF film were approximately 10 times higher than those of flat films at the wavelengths of 532 nm. Finite difference time domain (FDTD) simulation proves that the enhanced optical properties of metasurface MOF film are mainly due to the resonance effects of electric dipoles. The presented work proposes a novel strategy for achieving third-order NLO amplification by integrating metasurface nanoarrays and MOF film, offering a new pathway for developing high-performance NLO materials for practical applications.
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