title: Generation of nanopores during desorption of NH3 from Mg(NH3)6Cl2.
abstract: It is shown that nanopores are formed during desorption of NH3 from Mg(NH3)6Cl2, which has been proposed as a hydrogen storage material. The system of nanopores facilitates the transport of desorbed ammonia away from the interior of large volumes of compacted storage material. DFT calculations show that there exists a continuous path from the initial Mg(NH3)6Cl2 material to MgCl2 that does not involve large-scale material transport. Accordingly, ammonia desorption from this system is facile.
authors.affiliation: Center for Atomic-Scale Materials Physics (CAMP), Department of Physics, Building 307, Technical University of Denmark, DK-2800 Lyngby, Denmark.
authors.forename: Jens S
authors.initials: JS
authors.lastname: Hummelshøj
authors.forename: Rasmus Zink
authors.initials: RZ
authors.lastname: Sørensen
authors.forename: Marina Yu
authors.initials: MY
authors.lastname: Kustova
authors.forename: Tue
authors.initials: T
authors.lastname: Johannessen
authors.forename: Jens K
authors.initials: JK
authors.lastname: Nørskov
authors.forename: Claus Hviid
authors.initials: CH
authors.lastname: Christensen