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

这项由材料研究部固态材料化学项目授予弗吉尼亚大学的SGER奖是为了对基于过渡金属有机金属的新型固态二氢络合物薄膜进行重量和光谱研究。这些有机金属络合物将通过脉冲激光烧蚀在适当的条件下合成，以使蒸发的金属与气体等离子体中的碳原子适当匹配。该项目将利用纳米重量和现场非弹性电子隧道光谱测量，研究这些二氢络合物：a)氢分子在有机金属络合物中的附着及其结合强度；b)过渡金属原子团簇对氢吸收的影响；以及c)从络合物中放氢的最佳速度和程度的条件。我们还将研究用烷烃和环基的其他碳源合成的其他过渡金属络合物，以阐明二氢络合物的形成机理。这项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、讲座和演讲进行传播，研究生和本科生将参与其中。本项目将对过渡金属有机金属络合物的分子氢键机理进行研究。这种氢结合似乎既不是物理的，也不是也不是？化学的？但属于中间型。比身体更强壮的人？结合意味着大量的氢分子可以在不冷却到低温和弱于化学的情况下被吸附。结合意味着氢可以在方便而不是太高的温度下解吸。这种中间类型的结合的强度预计将强烈影响吸附在有机金属络合物上的氢分子的振动频率。该项目将使用一种电子方法进行重量和光谱研究，该方法可以确定吸氢量及其结合亲和力。拟议的实验研究将与现有的基于精确量子力学计算的理论预测相关联。这项拟议研究的结果预计将对未来的储氢技术产生直接影响。已经有计划将拟议的研究整合到一个关于能源的纳米材料的章节中。这将成为一门名为纳米物理导论的新课程的一部分。这是最近在弗吉尼亚大学开始的。

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.