分类： 物理学 >> 核物理学 提交时间： 2023-06-07
摘要：An ZrV2 alloy is typically susceptible to poisoning by impurity gases, which causes a considerable reduction in the hydrogen-storage properties of the alloy. In this study, the adsorption characteristics of oxygen on ZrV2 surfaces doped with Hf, Ti, and Pd are investigated, and the influence of oxygen on the hydrogen storage performance of the alloy was discussed. Subsequently, the adsorption energy, bond-length change, density of states, and differential charge density of the alloy before and after doping are analyzed using the first-principles method. The theoretical results show that Ti doping has a limited effect on the adsorption of oxygen atoms on the ZrV2 surface, whereas Hf doping decreases the adsorption energy of oxygen on the ZrV2 surface. Oxygen atoms are more difficult to adsorb at most adsorption sites on Pd-containing surfaces, which indicates that Pd has the best anti-poisoning properties, followed by Hf. The analysis of the differential charge density and partial density of states shows that the electron interaction between the oxygen atom and surface atom of the alloys is weakened, and the total energy is reduced after Hf and Pd doping. Based on theoretical calculations, the hydrogen-absorption kinetics of ZrV2, Zr0.9Hf0.1V2, and Zr(V0.9Pd0.1)2 alloys are studied in a hydrogen–oxygen mixture of 0.5 vol% O2 at 25℃. The experimental results show that the hydrogen-storage capacities of ZrV2, Zr0.9Hf0.1V2, and Zr(V0.9Pd0.1)2 decrease to 19%, 69%, and 80% of their original values, respectively. The order of alloy resistance to 0.5 vol% O2 poisoning is Zr(V0.9Pd0.1)2>Zr0.9Hf0.1V2>ZrV2. Pd retains its original hydrogen absorption performance to a greater extent than undoped surfaces, and it has the strongest resistance to poisoning, which is consistent with previous theoretical calculations.
分类： 核科学技术 >> 粒子加速器 提交时间： 2021-12-31 合作期刊: 《Nuclear Science and Techniques》
Bai, Shi-Wei
Yang, Xiao-Fei
Wang, Shu-Jing
Liu, Yong-Chao
Zhang, Peng
Liu, Yin-Shen
Hu, Han-Rui
Guo, Yang-Fan
Wang, Jin
Du, Ze-Yu
Yan, Zhou
Zhang, Yun-Kai
Ye, Yan-Lin
Li, Qi-Te
Ge, Yu-Cheng
He, Chuang-Ye
摘要： Collinear laser spectroscopy is a powerful tool for studying the nuclear spins, electromagnetic moments, and charge radii of exotic nuclei. To study the nuclear properties of unstable nuclei at the Beijing Radioactive Ion#2;beam Facility (BRIF) and the future High Intensity Heavy-ion Accelerator Facility (HIAF), we developed a collinear laser spectroscopy apparatus integrated with an offline laser ablation ion source and a laser system. The overall performance of this state-of-the-art technique was evaluated and the system was commissioned using a bunched stable ion beam. The high-resolution optical spectra for the 4s 2S1/2 → 4p 2P3/2 (D2) ionic transition of 40,42,44,48Ca isotopes were successfully measured. The extracted isotope shifts relative to 40Ca showed excellent agreement with the literature values. This system is now ready for use at radioactive ion beam facilities such as the BRIF and paves the way for the further development of higher-sensitivity collinear resonant ionization spectroscopy techniques.
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