Lu Jun, Fang Zhigang Zak, Sohn Hong Yong
Department of Metallurgical Engineering, University of Utah, 135 South 1460 East Room 412, Salt Lake City, Utah 84112, USA.
Inorg Chem. 2006 Oct 16;45(21):8749-54. doi: 10.1021/ic060836o.
This paper describes a reaction mechanism that explains the dehydrogenation reactions of alkali and alkaline-earth metal hydrides. These light metal hydrides, e.g., lithium-based compounds such as LiH, LiAlH4, and LiNH2, are the focus of intense research recently as the most promising candidate materials for on-board hydrogen storage applications. Although several interesting and promising reactions and materials have been reported, most of these reported reactions and materials have been discovered by empirical means because of a general lack of understanding of any underlying principles. This paper describes an understanding of the dehydrogenation reactions on the basis of the interaction between negatively charged hydrogen (H-, electron donor) and positively charged hydrogen (Hdelta+, electron acceptor) and experimental evidence that captures and explains many observations that have been reported to date. This reaction mechanism can be used as a guidance for screening new material systems for hydrogen storage.
本文描述了一种反应机理，该机理解释了碱金属和碱土金属氢化物的脱氢反应。这些轻金属氢化物，例如锂基化合物，如LiH、LiAlH4和LiNH2，作为车载氢存储应用中最有前景的候选材料，最近成为了深入研究的焦点。尽管已经报道了一些有趣且有前景的反应和材料，但由于普遍缺乏对任何潜在原理的理解，这些报道的反应和材料大多是通过经验方法发现的。本文基于带负电荷的氢（H-，电子供体）和带正电荷的氢（Hδ+，电子受体）之间的相互作用，描述了对脱氢反应的理解，并给出了实验证据，这些证据捕捉并解释了迄今为止报道的许多观察结果。这种反应机理可作为筛选新型氢存储材料体系的指导。
