Determining the stopping power of low kinetic energy Ne+ projectiles in self-Assembled monolayers

IF 2 3区 化学 Q4 CHEMISTRY, PHYSICAL Chemical Physics Pub Date : 2024-08-13 DOI:10.1016/j.chemphys.2024.112425
Ahlam R.M. Alharbi , Pedro L. Grande , Ingo Köper , Anand Kumar , Gunther G. Andersson
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Abstract

Neutral impact collision ion scattering spectroscopy (NICISS) is used to measure the energy loss in organic self-assembled monolayers (SAMs) on Au using Ne+ with low kinetic energies from 3 to 5 keV. With increasing film thickness, the energy loss of the projectiles increases because the projectile experiences more collisions with target atoms.

Through comparing Monte-Carlo simulations with the NICISS experiments, it was found that contributions from nuclear stopping for Ne+ were significantly larger than for He+ mainly due to the stronger contribution of small-angle scattering of Ne+ making Ne NICISS unsuitable for depth profiling at energies of 5 keV or lower. The measured Ne+ electronic stopping in SAMs is small despite the large atomic number of Ne. Comparing experiments and DFT calculations shows that the latter accurately reproduce stopping powers for Ne+, while SRIM overestimates the stopping power. This contrasts He+ ions, where DFT and SRIM align closely with experiments.

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确定自组装单层中低动能 Ne+ 射弹的阻挡力
中性撞击碰撞离子散射光谱(NICISS)用于测量金上有机自组装单层(SAM)的能量损失,使用的是动能在 3 至 5 keV 之间的 Ne+。通过将蒙特卡洛模拟与 NICISS 实验进行比较,发现 Ne+ 的核停止贡献明显大于 He+,这主要是由于 Ne+ 的小角散射贡献更大,使得 Ne NICISS 不适合在 5 keV 或更低能量下进行深度剖析。尽管 Ne 的原子序数很大,但在 SAM 中测得的 Ne+ 电子驻留很小。实验与 DFT 计算的比较表明,后者准确地再现了 Ne+ 的停止功率,而 SRIM 则高估了停止功率。这与 He+ 离子形成了鲜明对比,后者的 DFT 和 SRIM 与实验结果非常接近。
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来源期刊
Chemical Physics
Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
4.60
自引率
4.30%
发文量
278
审稿时长
39 days
期刊介绍: Chemical Physics publishes experimental and theoretical papers on all aspects of chemical physics. In this journal, experiments are related to theory, and in turn theoretical papers are related to present or future experiments. Subjects covered include: spectroscopy and molecular structure, interacting systems, relaxation phenomena, biological systems, materials, fundamental problems in molecular reactivity, molecular quantum theory and statistical mechanics. Computational chemistry studies of routine character are not appropriate for this journal.
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