Ford Motor Company Research and Advanced Engineering, 2101 Village Rd, RIC/MD1170, Dearborn, MI 48121, USA.
Chem Soc Rev. 2010 Feb;39(2):656-75. doi: 10.1039/b802882f. Epub 2009 Sep 14.
Widespread adoption of hydrogen as a vehicular fuel depends critically upon the ability to store hydrogen on-board at high volumetric and gravimetric densities, as well as on the ability to extract/insert it at sufficiently rapid rates. As current storage methods based on physical means--high-pressure gas or (cryogenic) liquefaction--are unlikely to satisfy targets for performance and cost, a global research effort focusing on the development of chemical means for storing hydrogen in condensed phases has recently emerged. At present, no known material exhibits a combination of properties that would enable high-volume automotive applications. Thus new materials with improved performance, or new approaches to the synthesis and/or processing of existing materials, are highly desirable. In this critical review we provide a practical introduction to the field of hydrogen storage materials research, with an emphasis on (i) the properties necessary for a viable storage material, (ii) the computational and experimental techniques commonly employed in determining these attributes, and (iii) the classes of materials being pursued as candidate storage compounds. Starting from the general requirements of a fuel cell vehicle, we summarize how these requirements translate into desired characteristics for the hydrogen storage material. Key amongst these are: (a) high gravimetric and volumetric hydrogen density, (b) thermodynamics that allow for reversible hydrogen uptake/release under near-ambient conditions, and (c) fast reaction kinetics. To further illustrate these attributes, the four major classes of candidate storage materials--conventional metal hydrides, chemical hydrides, complex hydrides, and sorbent systems--are introduced and their respective performance and prospects for improvement in each of these areas is discussed. Finally, we review the most valuable experimental and computational techniques for determining these attributes, highlighting how an approach that couples computational modeling with experiments can significantly accelerate the discovery of novel storage materials (155 references).
氢气作为车辆燃料的广泛应用取决于在高体积和重量密度下在车载条件下储存氢气的能力，以及以足够快的速率提取/插入氢气的能力。由于目前基于物理手段（高压气体或（低温）液化）的存储方法不太可能满足性能和成本目标，因此最近出现了一项全球性的研究努力，专注于开发在凝聚相中储存氢气的化学方法。目前，没有已知的材料具有能够实现大容量汽车应用的综合性能。因此，非常需要具有改进性能的新材料，或者开发现有材料的新方法。在这篇重要的综述中，我们提供了对储氢材料研究领域的实用介绍，重点介绍了（i）对可行储氢材料所必需的性能，（ii）用于确定这些属性的常用计算和实验技术，以及（iii）作为候选储氢化合物的研究材料类别。从燃料电池汽车的一般要求开始，我们总结了这些要求如何转化为对储氢材料的理想特性。其中关键的是：（a）高重量和体积的氢气密度，（b）热力学条件允许在近环境条件下可逆地吸收/释放氢气，以及（c）快速的反应动力学。为了进一步说明这些特性，引入了四大类候选储氢材料——传统金属氢化物、化学氢化物、络合氢化物和吸附剂系统——并讨论了它们各自在这些方面的性能和改进前景。最后，我们回顾了确定这些属性的最有价值的实验和计算技术，突出了将计算建模与实验相结合的方法如何显著加速新型储氢材料的发现（155 篇参考文献）。
