Bi Jiapeng, Zhou Panpan, Jiang Wei, Kou Huaqin, Tang Tao, Zhang Yajie, Liu Yang, Zhou Qianwen, Yao Yunxi, Zhang Yuan, Yang Mao, Chen Lixin, Xiao Xuezhang
State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou, Zhejiang, 310058, China.
College of Materials Science and Engineering, Hohai University, Changzhou, 213200, China.
Adv Sci (Weinh). 2024 Nov;11(43):e2408522. doi: 10.1002/advs.202408522. Epub 2024 Sep 20.
The effective utilization of hydrogen storage materials (HSMs) is hindered by impurity gas poisoning, posing a significant challenge for large-scale applications. This study elucidates the poisoning mechanisms of various impurities gases (CO, CO, O, Ar, He, CH, N) on ZrCo, Pd, U and LaNi. Impurities gases are categorized into active and inactive types based on their effecting behaviors and mechanisms on the hydrogenation of HSMs. During the hydrogenation process, active impurities chemically poison the hydrogenation reaction by limiting hydrogen absorption at interface, while inactive impurities physically hinder hydrogenation reaction by impeding hydrogen diffusion in hydrogen-impurity mixed gas. In situ Scanning Tunneling Microscope clarifies these behaviors, and a novel criterion based on hydrogen spontaneous dissociation energy is introduced to explain and predict impurity-substrate interaction characteristics. The novel findings of this work provide a comprehensive framework for designing long-lived HSMs with poisoning resistance, guiding the development of more resilient hydrogen storage systems.
储氢材料（HSMs）的有效利用受到杂质气体中毒的阻碍，这对大规模应用构成了重大挑战。本研究阐明了各种杂质气体（CO、CO、O、Ar、He、CH、N）对ZrCo、Pd、U和LaNi的中毒机制。根据杂质气体对储氢材料氢化作用的行为和机制，将其分为活性和非活性两类。在氢化过程中，活性杂质通过限制界面处的氢吸收对氢化反应进行化学中毒，而非活性杂质则通过阻碍氢在氢-杂质混合气体中的扩散对氢化反应进行物理阻碍。原位扫描隧道显微镜揭示了这些行为，并引入了基于氢自发解离能的新准则来解释和预测杂质-底物相互作用特性。这项工作的新发现为设计具有抗中毒能力的长寿命储氢材料提供了一个全面的框架，指导了更具弹性的储氢系统的开发。
