报告题目：金属有机化合物的开发及其储氢和离子传导研究

        报 告 人： 何  腾    研究员

        单      位：中国科学院大连化学物理研究所

        报告时间：2024年3月21日（星期四）  14:30 

        报告地点：稀土大厦203

        报告人简介：

        2012年毕业于中国科学院大连化学物理研究所，获得工业催化专业博士学位，毕业后破格聘为副研究员留所工作。现任大连化物所氢能与先进材料研究室党支部书记，复合氢化物材料化学课题组副组长。研究方向为新型储氢材料及其高效催化剂的开发，开创了金属有机氢化物储氢新体系。在Nature Chem.、Nature Rev. Mater.、Angew. Chem.、Adv. Mater.、Energy Environ. Sci.等学术期刊上发表论文60余篇，参与撰写英文专著1部，中文专著一部，申请发明专利14项，授权4项，其中PCT美国授权专利1项。共主持科技研发项目12项（包括国家重点研发计划、国家自然基金委面上项目、国际合作项目、企业合作项目等），在国内外学术会议进行邀请报告10余次，2019年在高登会议金属氢论坛进行大会邀请报告。担任Nature Nanotech.、J. Am. Chem. Soc.、Angew. Chem. Int. Ed.等20余种期刊的审稿人，J. Energy Chem.客座编辑。

        报告摘要：

        Metalorganic compounds for hydrogen storage and ion conduction 

    Storing hydrogen efficiently in condensed materials is a key technical challenge. Tremendous efforts have been given to inorganic hydrides containing B-H, Al-H and/or N-H bonds, while organic compounds with a great variety and rich chemistry in manipulating C-H and unsaturated bonds, however, are undervalued mainly because of their unfavorable thermodynamics and selectivity in dehydrogenation. Here, we developed a new family of hydrogen storage material spanning across the domain of inorganic and organic hydrogenous compounds, namely metalorganic compunds, utilizing the electron donating nature of alkali or alkaline earth metals to tune the electron densities of organic hydride molecules to be suitable for hydrogen storage in terms of thermodynamic properties. Theoretical calculations reveal that the enthalpies of dehydrogenation (ΔHd) of these metalorganic compunds depend on the electronegativity of the metals. In line with our calculation results, sodium and lithium analogues of pyrrolides, imidazolides, indolides and carbazolides of distinct structures were synthesized characterized and employed for hydrogen storage.

    These metalorganic compounds are newly developed, which may show unique properties. It is worth mentioning that these metalorganic compounds possess large anions (such as phenoxide, indolide and carbazolide anions) as well as layered crystal structures, which are prerequisites for fast ionic conductors in some cases. Therefore, sodium carbazolide and its tetrahydrofuran-coordinated derivatives are developed and employed as fast ionic conductors. Their crystal structures are also determined. Among these materials, THF-coordinated complexes exhibit fast Na⁺ conductivities, i.e., 1.20×104 S cm-1 and 1.95 ×103 S cm-1 at 90 °C for Na-CZ-1THF and Na-CZ-2THF, respectively, which are among the top Na+ conductors under the same condition. A “neutral ligand-assisted” cation migration mechanism is proposed, where the migration of Li+ may be.

 

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