Molecular and Atomic Hydrogen in Pillared Layered Materials: Towards Tuneable Hydrogen Storage

在这个下一代设施用户学生奖学金的请求中，我们将使用中子散射来研究两个原型柱撑层状系统中的氢：石墨插层和云母粘土。在这些材料中，我们可以调整层电荷和廊道间距以优化氢的吸收，因此它们具有实际和基础意义。清洁能源是一个非常热门的话题，这将使我们更容易招募到一个高质量的学生。具体来说，要实现氢经济，需要克服几个技术挑战，其中许多挑战与用于储存氢的材料本身有关。所需的性能目标已由美国能源部编纂，包括氢的重量百分比和体积密度，其吸收/释放的动力学，成本，寿命和安全性。目前正在研究各种不同的技术，但目前没有任何材料甚至达到2005年的目标。我们相信，在柱撑石墨和粘土中，我们已经确定了一类能够满足这一需求的材料，并且还便宜且环保（可回收）。此外，通过控制层间距、插层剂的浓度和类型、表面电荷和纳米级织构，它们的吸氢性能是高度可调的。在基础层面上，该项目还将让学生深入了解H2的分子动力学和量子离域，以及由H2解离驱动的效应，包括KC 8等材料的神秘重新分级。在高电荷粘土（如蛭石和云母）中，H2的共插层尚未研究，但我们预计学生会发现这些材料是富含阳离子的带电氧化物的优秀典范，具有可控的画廊间距和吸收性能远远上级沸石等材料。所有这些研究都将充分利用STFC的中子散射设施，特别是ISIS脉冲源，使用各种衍射和光谱仪器来利用独特的中子-质子散射，并为学生提供丰富的培训经验。

In this request for a Next Generation Facilities User studentship, we will use neutron scattering to study hydrogen in two prototypical pillared layered systems: graphite intercalates and mica clays. In these materials we can tune the layer charge and gallery spacing to optimise the uptake of hydrogen, and they are therefore of both practical and fundamental significance. Clean energy is a highly topical issue, and this will make it much easier for us to recruit a high-quality student. Specifically, for the hydrogen economy to be practical there are a several technological challenges to be overcome, many of which are associated with the materials used to store the hydrogen itself. The required performance targets have been codified by the US Department of Energy, and include the weight percent and volumetric density of hydrogen, the kinetics of its uptake/release, cost, lifetime and safety. At the moment there are various different technologies that are being investigated, but currently no material meets even the 2005 goals. We believe that in pillared graphite and clays we have identified a class of material that will be able to satisfy this need, and are also cheap and environmentally friendly (recyclable). Furthermore, their hydrogen absorption properties are highly tuneable via control of the interlayer spacing, the concentration and type of intercalant, the surface charge, and nano-scale texture. At a fundamental level, the project will also give the student insight into the molecular dynamics and quantum delocalisation of H2, and effects which are driven by H2-dissociation including the mysterious restaging of materials like KC8. In high charge clays such as vermiculite and mica, the co-intercalation of H2 is as yet unstudied, but we expect that the student will find that these materials are excellent exemplars of cation-rich charged oxides, with controllable gallery spacings and uptake properties far superior to materials such as zeolites. All of this research will make excellent use of the STFC's Neutron Scattering Facilities, at the ISIS Pulsed Source in particular, using a variety of diffraction and spectroscopy instruments to exploit the unique neutron-proton scattering, and providing a rich training experience for the student.