title: Improved organic hydrogen carriers with superior thermodynamic properties.
abstract: By the incorporation of N atoms into naphthalene, we present a theoretical investigation to seek for improved organic hydrogen carriers with an explicit guideline, the release of H2 is found to be greatly favored thermodynamically and the corresponding cycloalkanes possess high hydrogen storage capacity, this offers extensive candidates for practical applications of the promising hydrogen energy.
authors.affiliation: Division of Chemistry and Biological Chemistry, School of Physical & Mathematical Sciences, Nanyang Technological University, Singapore, 639798.
authors.forename: Rui-Feng
authors.initials: RF
authors.lastname: Lu
authors.forename: Gustav
authors.initials: G
authors.lastname: Boëthius
authors.forename: Shu-Hao
authors.initials: SH
authors.lastname: Wen
authors.forename: Yan
authors.initials: Y
authors.lastname: Su
authors.forename: Wei-Qiao
authors.initials: WQ
authors.lastname: Deng