title: An enhanced hydrogen adsorption enthalpy for fluoride intercalated graphite compounds.
abstract: We present a combined theoretical and experimental study on H(2) physisorption in partially fluorinated graphite. This material, first predicted computationally using ab initio molecular dynamics simulation and subsequently synthesized and characterized experimentally, represents a novel class of "acceptor type" graphite intercalated compounds that exhibit significantly higher isosteric heat of adsorption for H(2) at near ambient temperatures than previously demonstrated for commonly available porous carbon-based materials. The unusually strong interaction arises from the semi-ionic nature of the C-F bonds. Although a high H(2) storage capacity (>4 wt %) at room temperature is predicted not to be feasible due to the low heat of adsorption, enhanced storage properties can be envisaged by doping the graphitic host with appropriate species to promote higher levels of charge transfer from graphene to F(-) anions.
authors.affiliation: Air Products and Chemicals, Inc., 7201 Hamilton Boulevard, Allentown, Pennsylvania 18195, USA. Chengh@airproducts.com
authors.forename: Hansong
authors.initials: H
authors.lastname: Cheng
authors.forename: Xianwei
authors.initials: X
authors.lastname: Sha
authors.forename: Liang
authors.initials: L
authors.lastname: Chen
authors.forename: Alan C
authors.initials: AC
authors.lastname: Cooper
authors.forename: Maw-Lin
authors.initials: ML
authors.lastname: Foo
authors.forename: Garret C
authors.initials: GC
authors.lastname: Lau
authors.forename: Wade H
authors.initials: WH
authors.lastname: Bailey
authors.forename: Guido P
authors.initials: GP
authors.lastname: Pez