The onset of dehydrogenation in solid Ammonia Borane, an ab-initio metadynamics study

Valerio Rizzi, Daniela Polino, Emilia Sicilia +2

The discovery of effective hydrogen storage materials is fundamental for the progress of a clean energy economy. Ammonia borane (${\mathrm{H}}_3\mathrm{BN}{\mathrm{H}}_3$) has attracted great interest a…