Pd纳米晶中氢插层波动力学的原子级演化
Atomic evolution of hydrogen intercalation wave dynamics in palladium nanocrystals
AI总结：
本研究利用液相透射电子显微镜在原子尺度上成像钯纳米晶中的氢插层波动力学，发现插层波机制主导室温下的相变，并揭示其演化路径旨在最小化相边界晶格失配应变。
摘要：
溶质插层诱导的相分离在宿主材料中产生空间不均匀性，这一现象在电池、储氢及其他能源器件中普遍存在。尽管已付出诸多努力，在原子尺度上探测插层过程仍是一项重大挑战。我们将钯纳米晶中的氢（脱）插层作为模型系统，利用液相透射电子显微镜实现了氢插层波动力学的原子分辨率成像。观察表明，对于尺寸从约60 nm降至约10 nm的钯纳米立方体，在室温下占主导的是插层波机制，而非收缩核机制。我们揭示了氢插层波从非平面、倾斜边界向与{100}晶面紧密对齐的边界转变的原子级演化。我们的动力学蒙特卡罗模拟表明，观察到的插层波动力学对应于使相边界处晶格失配应变最小化的吸附路径。揭示原子级插层路径对设计插层介导器件及推进能源科学具有深远意义。
英文摘要：
Solute-intercalation-induced phase separation creates spatial heterogeneities in host materials, a phenomenon ubiquitous in batteries, hydrogen storage, and other energy devices. Despite many efforts, probing intercalation processes at the atomic scale has been a significant challenge. We study hydrogen (de)intercalation in palladium nanocrystals as a model system and achieve atomic-resolution imaging of hydrogen intercalation wave dynamics by utilizing liquid-phase transmission electron microscopy. Our observations reveal that intercalation wave mechanisms, instead of shrinking-core mechanisms, prevail at ambient temperature for palladium nanocubes ranging from ~60 nm down to ~10 nm. We uncover the atomic evolution of hydrogen intercalation wave transitioning from non-planar and inclined boundaries to those closely aligned with {100} planes. Our kinetic Monte Carlo simulations demonstrate the observed intercalation wave dynamics correspond to sorption pathways minimizing the lattice mismatch strain at the phase boundary. Unveiling the atomic intercalation pathways holds profound implications for engineering intercalation-mediated devices and advancements in energy sciences.
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