A dehydrogenation mechanism of metal hydrides based on interactions between H delta+ and H-

作者：Lu Jun; Fang Zhigang Zak^*; Sohn Hong Yong

来源：Inorganic Chemistry, 2006, 45(21): 8749-8754.

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, LiAIH(4), 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 (H delta+, 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.

• 出版日期2006-10-16