Calculations suggest a new preparation route to ammonium hydrotriborate salt for use in hydrogen storage

► Ammonia hydrotriborane salt is prepared by reaction of triborane and ammonia. ► Calculations suggest that dehydrogenation from ammonium hydrotriborate gives ammonia triborane, which is a potential material for chemical hydrogen storage. ► The calculated energy profile shows a spontaneous hydrogen release from the salt upon sublimation.