Article ID Journal Published Year Pages File Type
5383835 Chemical Physics Letters 2011 7 Pages PDF
Abstract
► Combination of LiNH2BH3 and NH3BH3 leads to an even better compound for H2 release. ► The energy barrier for H2 release from LiNH2BH3-NH3BH3 is strongly reduced. ► Initial formation of a six-membered ring is responsible for the barrier reduction.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical study of the hydrogen release mechanism from a lithium derivative of ammonia borane, LiNH2BH3-NH3BH3
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