Metal–organic frameworks for H2 and CH4 storage: insights on the pore geometry–sorption energetics relationship

[摘要] This study aims to assess the possibility of improving H2 and CH4 binding affinity to the aromatic walls of a designed new Metal–Organic Framework (MOF) through simultaneous dispersive interactions. It is suggested here that desirable H2 and CH4 storage media at low pressures require narrow uniform pores associated with large surface area, a trade-off that is challenging to achieve.

[学科分类] 数学（综合）

[关键词] TAILORED PORE GEOMETRY;METAL-ORGANIC FRAMEWORKS;MOFS;HYDROGEN STORAGE;DISPERSIVE INTERACTIONS