NER: Hydrogen in Carbon Nanotubes - NMR and Multiscale Simulations

提案编号：0403809发明：MITPRINCIPAL研究员：Cory，DavidTITLE：NER：碳纳米管中的氢-核磁共振和多尺度模拟摘要：复杂材料体系的性质，如纳米级结构，是由其组成元素之间在微观和介观尺度上的物理和化学相互作用决定的。该项目采用独特的核磁共振实验和理论相结合的方法来阐明一种特殊的纳米系统的性质-存储在碳纳米管中的氢气。碳纳米管已成为燃料调用中氢气存储的重要候选技术。了解氢是如何在当地与碳框架相互作用的--本质上是实现对这一过程的原子水平的洞察--将对推动这项技术非常有用。这项研究将旨在探索氢和碳在纳米管表面如何相互作用的详细核磁共振实验与原子水平的计算机模拟相结合，以关联氢-碳纳米管系统的整体性质是如何由两者在微观水平上的相互作用决定的。

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.