Ultrahigh Hydrogen Uptake in an Interpenetrated Zn_(4)O-Based Metal–Organic Framework  

作　　者：Fu-Gang Li Caiping Liu Daqiang Yuan Fangna Dai Rongming Wang Zhikun Wang Xiaoqing Lu Daofeng Sun 

机构地区：[1]College of Science,School of Materials Science and Engineering,China University of Petroleum(East China),Qingdao,Shandong 266580 [2]Department State Key Laboratory of Structure Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou,Fujian 350002

出　　处：《CCS Chemistry》2022年第3期832-837,共6页中国化学会会刊（英文）

基　　金：supported by the NSFC(grant no.21875285);Taishan Scholar Foundation(grant no.ts201511019);Key Research and Development Projects of Shandong Province(grant no.2019JZZY010331);the Strategic Priority Research Program of CAS(grant no.XDB20000000);the Key Research Program of Frontier Sciences,CAS(grant no.QYZDB-SSW-SLH019);the Fundamental Research Funds for the Central Universities(grant no.18CX02047A).

摘　　要：As a highly promising candidate for hydrogen storage,crucial to vehicles powered by fuel cells,metal–organic frameworks(MOFs)have attracted the attention of chemists in recent decades.H_(2) uptake in an MOF is influenced by many factors such as pore size,ligand functionalization,and open metal sites.The synergistic effect of these factors can significantly enhance the H_(2) uptake in an MOF.Herein,we report a twofold interpenetrated MOF(UPC-501)based on a Zn_(4)O(COO)_(6)secondary building unit with the H_(2) uptake of 14.8 mmol g^(−1)(2.96 wt%)at 77 K and 0.1 MPa.This uptake is the highest among all the reported porous Zn-based MOF materials.Both experimental and theoretical results confirm that the reduced pore size derived from twofold interpenetration and the imidazole-functionalized ligand are responsible for the extremely high H_(2) uptake of UPC-501.

关 键 词：H_(2)storage Zn-based MOF INTERPENETRATION imidazole-functionalized ligand molecular simulation 

分 类 号：O64[理学—物理化学]