SGER: Inelastic Electron Tunneling Spectroscopy and Nanogravimetry of New Transition Metal based Organometal DiHydrogen Complexes

该SGER奖由弗吉尼亚大学材料研究部固态材料化学项目授予，旨在对基于过渡金属有机金属的新型固态二氢配合物薄膜进行重量和光谱研究。这些有机金属配合物将通过脉冲激光烧蚀在适当匹配汽化金属与存在于气体等离子体中的碳原子的条件下合成。利用纳米重力和原位非弹性电子隧道光谱测量，该项目将研究这些二氢配合物的以下方面：a)氢分子在有机金属配合物中的附着及其结合强度；B)过渡金属原子簇对吸氢的影响；c)最佳氢释放速率和程度的条件。其他碳源合成的过渡金属配合物也将被研究，以阐明二氢配合物的形成机制。拟议研究的结果预计将对未来的储氢技术产生直接影响。研究结果将通过出版物、讲座和报告的形式传播，研究生和本科生也将参与其中。本项目将研究过渡金属有机金属配合物的分子氢结合机理。这种氢结合似乎既不是物理上的。还是化学?但是属于中间类型。比身体更强壮？结合意味着大量的氢分子可以被吸附，而不需要冷却到低温，并且比化学吸附更弱。结合意味着氢可以在不太高的温度下方便地解吸。这种中间类型结合的强度预计会强烈影响吸附在有机金属配合物上的氢分子的振动频率。该项目将使用电子方法进行重力和光谱研究，以确定氢的吸收量及其结合亲和力。提出的实验研究将与基于精确量子力学计算的现有理论预测相关联。拟议研究的结果预计将对未来的储氢技术产生直接影响。计划将拟议的研究纳入关于？纳米材料用于能源？这将成为一门名为？纳米物理学导论？该项目最近在弗吉尼亚大学启动。

This SGER award to University of Virginia from the Solid State Materials Chemistry program in the Division of Materials Research is to carry out gravimetric and spectroscopic investigations on new solid state thin films of dihydrogen complexes based on transition metal organometallics. These organometallic complexes will be synthesized by pulsed laser ablation under conditions tailored to appropriately match the vaporized metal with carbon atoms present in the gas plasma. Using both nanogravimetric and in-situ Inelastic Electron Tunneling Spectroscopic measurements, the project will study these dihydrogen complexes for the following: a) the attachment of hydrogen molecules in the organometallic complexes and their binding strength; b) the effect of transition metal atoms clusters on hydrogen uptake; and c) the conditions for optimum rate and degree of hydrogen release from the complexes. Other transition metal complexes synthesized with other carbon sources from alkane and cyclic groups will also be studied to elucidate the mechanism for the dihydrogen complex formation. The outcome from the proposed research is expected to have a direct impact on future hydrogen storage technologies. Results from the studies will be disseminated through publications, talks and presentations with the involvement of graduate students and undergraduate students. Molecular hydrogen binding mechanism on transition metal organometallic complexes will be studied by this project. This hydrogen binding appear to be neither ?physical? nor ?chemical? but of an intermediate type. The stronger than ?physical? binding means that large numbers of hydrogen molecules can be adsorbed without cooling to cryogenic temperatures and weaker than ?chemical? binding means that the hydrogen can be desorbed at convenient not too high temperatures. The strength of this intermediate type of binding is expected to strongly influence the vibration frequencies of the hydrogen molecule adsorbed on to organometallic complexes. The project will carry out gravimetric and spectroscopic studies using an electronic method that could determine the amount of hydrogen absorbed and its binding affinities. The proposed experimental studies will be correlated with available theoretical predictions based on accurate quantum mechanical calculations. The outcome from the proposed research is expected to have a direct impact on future hydrogen storage technologies. Plans are in place to integrate the proposed research into a chapter on ?Nanomaterials for Energy? that will form part of a new course called ?Introduction to Nanophysics? that was started recently at University of Virginia.