The results of a theoretical and computational study of the electron exchange of ions with metal nanoclusters are presented. Scanning tunneling microscopy and electron exchange in scattering of slow ions are used widely in experimental studies of the electronic structure and surface reactivity of metal nanoclusters. Due to the complexity of direct experiments, computer simulation is an important tool for nanostructure analysis. The results of calculation of the eigenvalues of the electron wave function accurately characterize the spatial distribution of the electron density on the nanocluster surface determined using scanning tunneling microscopy. The electron energy inside a small nanocluster is quantized, and the spatial distribution of the electron density is discrete. The quantization of electron energy (discrete electronic structure) has a significant influence on resonant electron processes, including the electron exchange of ions with nanoclusters and electron tunneling in scanning tunneling microscopy. The model problem of electron tunneling from a negative ion to a nanocluster was used as an example to demonstrate that the discrete electronic structure is manifested in the form of a quantum-size effect of electron exchange and a nonmonotonic dependence of the differential conductivity on the bias voltage. A quantitative explanation for the experimentally observed order-of-magnitude enhancement (compared to bulk samples) of the probability of neutralization of alkali metal ions on metal nanoclusters is also provided.

中文翻译：

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金属纳米团簇与离子的电子交换特征

给出了离子与金属纳米团簇的电子交换的理论和计算研究的结果。扫描隧道显微镜和慢速离子散射中的电子交换被广泛用于金属纳米团簇的电子结构和表面反应性的实验研究中。由于直接实验的复杂性，计算机模拟是纳米结构分析的重要工具。电子波函数的特征值的计算结果准确地表征了使用扫描隧道显微镜确定的纳米簇表面上电子密度的空间分布。小型纳米团簇内部的电子能量被量化，并且电子密度的空间分布是离散的。电子能量的量化（离散电子结构）对共振电子过程具有重要影响，包括在纳米扫描簇中进行离子交换和扫描隧道显微镜中的电子隧道。以电子从负离子隧穿到纳米团簇的模型问题为例，证明了离散的电子结构表现为电子交换的量子尺寸效应和电导率对偏压的非单调依赖性。电压。还提供了对实验观察到的碱金属离子在金属纳米团簇上中和可能性的数量级增强（与批量样品相比）的定量解释。包括扫描电子显微镜中的离子与纳米团簇的电子交换和电子隧穿。以电子从负离子隧穿到纳米团簇的模型问题为例，证明了离散的电子结构表现为电子交换的量子尺寸效应和电导率对偏压的非单调依赖性。电压。还提供了对实验观察到的碱金属离子在金属纳米团簇上中和可能性的数量级增强（与批量样品相比）的定量解释。包括扫描电子显微镜中的离子与纳米团簇的电子交换和电子隧穿。以电子从负离子隧穿到纳米团簇的模型问题为例，证明了离散的电子结构表现为电子交换的量子尺寸效应和电导率对偏压的非单调依赖性。电压。还提供了对实验观察到的碱金属离子在金属纳米团簇上中和可能性的数量级增强（与批量样品相比）的定量解释。以电子从负离子隧穿到纳米团簇的模型问题为例，证明了离散的电子结构表现为电子交换的量子尺寸效应和电导率对偏压的非单调依赖性。电压。还提供了对实验观察到的碱金属离子在金属纳米团簇上中和可能性的数量级增强（与批量样品相比）的定量解释。以电子从负离子隧穿到纳米团簇的模型问题为例，证明了离散的电子结构表现为电子交换的量子尺寸效应和电导率对偏压的非单调依赖性。电压。还提供了对实验观察到的碱金属离子在金属纳米团簇上中和可能性的数量级增强（与批量样品相比）的定量解释。