title: A Metal-Organic Framework with a Pore Size/Shape Suitable for Strong Binding and Close Packing of Methane.
abstract: Much effort has been devoted to develop new porous structures for methane storage. We report a new porous coordination framework showing exceptional methane uptakes (e.g. 263 v/v at 298 K and 65 bar) and adsorption enthalpies (21.6 kJ mol(-1)) as high as current record holders functionalized by open metal sites. Computational simulations demonstrated that the hierarchical pore structure consisting of single-wall nanocages has suitable sizes/shapes and organic binding sites to enforce not only strong host-methane and methane-methane interactions but also dense packing of methane molecules.
authors.affiliation: MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou, 510275, China.
authors.forename: Jiao-Min
authors.initials: JM
authors.lastname: Lin
authors.affiliation: MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou, 510275, China. zhangjp7@mail.sysu.edu.cn.
authors.forename: Chun-Ting
authors.initials: CT
authors.lastname: He
authors.affiliation: MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou, 510275, China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Liu
authors.affiliation: MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou, 510275, China.
authors.forename: Pei-Qin
authors.initials: PQ
authors.lastname: Liao
authors.affiliation: MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou, 510275, China.
authors.forename: Dong-Dong
authors.initials: DD
authors.lastname: Zhou
authors.affiliation: MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou, 510275, China. hechunt@mail2.sysu.edu.cn.
authors.forename: Jie-Peng
authors.identifier: http://orcid.org/0000-0002-2614-2774
authors.initials: JP
authors.lastname: Zhang
authors.affiliation: MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou, 510275, China.
authors.forename: Xiao-Ming
authors.initials: XM
authors.lastname: Chen
keywords: adsorption; guest-guest interactions; host-guest interactions; metal-organic frameworks; methane