title: Destabilization of Mg-H bonding through nano-interfacial confinement by unsaturated carbon for hydrogen desorption from MgH2.
abstract: We propose a new mechanism for destabilizing Mg-H bonding by means of a combination of the size effect and MgH2-carbon scaffold interfacial bonding, and experimentally realize low temperature hydrogen release starting from 50 °C using an MgH2@CMK-3 nanoconfinement system (37.5 wt% MgH2 loading amount). Based on computational calculations, it is found that the charge transfer from MgH2 to the carbon scaffold plays a critical role in the significant reduction of thermodynamics of MgH2 dehydrogenation. Our results suggest how to explore an alternative route for the enhancement of nano-interfacial confinement to destabilize the Mg-H hydrogen storage system.
authors.affiliation: ARC Centre of Excellence for Functional Nanomaterials, Australian Institute for Bioengineering and Nanotechnology (AIBN), The University of Queensland, St Lucia QLD 4072, Brisbane, Australia.
authors.forename: Yi
authors.initials: Y
authors.lastname: Jia
authors.forename: Chenghua
authors.initials: C
authors.lastname: Sun
authors.forename: Lina
authors.initials: L
authors.lastname: Cheng
authors.forename: Md
authors.initials: M
authors.lastname: Abdul Wahab
authors.forename: Jie
authors.initials: J
authors.lastname: Cui
authors.forename: Jin
authors.initials: J
authors.lastname: Zou
authors.forename: Min
authors.initials: M
authors.lastname: Zhu
authors.forename: Xiangdong
authors.initials: X
authors.lastname: Yao