NER: Hydrogen in Carbon Nanotubes - NMR and Multiscale Simulations

提案编号：0403809机构：MIT主要研究者：科里，大卫标题：NER：氢在碳纳米管-核磁共振和多尺度模拟摘要：复杂的材料系统，如纳米结构的性质是由其组成元素之间的物理和化学相互作用，无论是在微观和介观尺度. 该项目使用核磁共振（NMR）实验和理论的独特组合来阐明一个特定的纳米系统的性质-氢气存储在碳纳米管中。碳纳米管已经成为燃料电池中储氢的重要候选技术。 了解氢如何与碳框架局部相互作用-本质上实现对这一过程的原子水平洞察-将对推进这项技术非常有用。 这项研究结合了详细的NMR实验，旨在探索氢和碳如何在纳米管表面上相互作用，并在原子水平上进行计算机建模，以关联氢-碳纳米管系统的整体性质如何由两者之间的相互作用决定微观水平。

PROPOSAL NO: 0403809INSTITUTION: MITPRINCIPAL INVESTIGATOR: Cory , DavidTITLE: NER: Hydrogen in Carbon Nanotubes - NMR and Multiscale SimulationsAbstract:The properties of complex material systems such as nanoscale structures are determined by the physical and chemical interactions among its constituent elements, both at the microscopic and mesoscopic scales. This project uses a unique combination of nuclear magnetic resonance (NMR) experiments and theory to elucidate the properties of a particular nanoscale system - hydrogen gas stored within carbon nanotubes.Carbon nanotubes have emerged as an important candidate technology for hydrogen storage in fuel calls. Understanding how the hydrogen interacts locally with the carbon framework - in essence achieving an atomic level insight into this process - would be very useful in furthering this technology. This study combines detailed NMR experiments designed to probe how the hydrogen and the carbon interact on the surfaces of the nanotube, with computer modelling at the atomic level, to correlate how the bulk properties of the hydrogen - carbon nanotube system are determined by the interactions between the two at the microscopic level.