title: A dehydrogenation mechanism of metal hydrides based on interactions between Hdelta+ and H-.
abstract: 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.
authors.affiliation: Department of Metallurgical Engineering, University of Utah, 135 South 1460 East Room 412, Salt Lake City, Utah 84112, USA.
authors.forename: Jun
authors.initials: J
authors.lastname: Lu
authors.forename: Zhigang Zak
authors.initials: ZZ
authors.lastname: Fang
authors.forename: Hong Yong
authors.initials: HY
authors.lastname: Sohn