The contribution of inner electron excitation to the electronic stopping power of palladium for protons

Wen Qi Jin, Fei Mao*, Shi Ming Li, Wen Qi Zuo, Rui Da Chen, Ge Ge Xiong, Hong Mao, Feng Wang, Feng Shou Zhang

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

5 引用 (Scopus)

摘要

The electronic stopping power of palladium (Pd) for protons is investigated based on time-dependent density functional theory combined with Ehrenfest molecular dynamics simulations. The electronic stopping power of Pd with explicitly considering inner electrons for protons is calculated and the excitation mechanism for the inner electrons of Pd is revealed. The velocity proportionality of the low-energy stopping power of Pd is reproduced. Our study verified that the inner electron excitation contributes significantly to the electronic stopping power of Pd in the high energy range, which is strongly dependent on the impact parameter. The electronic stopping power obtained from the off-channeling geometry is in quantitative agreement with the experimental data in a wide velocity range, and the discrepancy around the stopping maximum is further reduced by considering the relativistic correction on the binding energy of inner electrons. The velocity dependence of the mean steady-state charge of protons is quantified, and the results showed that the participation of 4p-electrons reduces the mean steady-state charge of protons, and consequently decreases the electronic stopping power of Pd in the low energy range.

源语言英语
页(从-至)9043-9050
页数8
期刊Physical Chemistry Chemical Physics
25
13
DOI
出版状态已出版 - 8 3月 2023

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