Hydrogen adsorption performance of Cu-BTC/ graphene aerogel composite: A combined experimental and computational study

被引：23
作者：
Ren, Wen [1 ,2 ,3 ]
Zhuang, Xudong [3 ]
Liu, Zhilu [1 ,3 ]
Li, Song [1 ,2 ,3 ]
机构：
[1] Huazhong Univ Sci & Technol, Shenzhen Res Inst, Shenzhen 518057, Peoples R China
[2] Huazhong Univ Sci & Technol, China EU Inst Clean & Renewable Energy, Wuhan 430074, Peoples R China
[3] Huazhong Univ Sci & Technol, Sch Energy & Power Engn, State Key Lab Coal Combust, Wuhan 430074, Peoples R China
来源：
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY | 2021年 / 46卷 / 24期
关键词：
Graphene aerogel; Composites; Hydrogen uptake; Molecular simulation; METAL-ORGANIC FRAMEWORK; GAS-STORAGE; HKUST-1; CAPACITY;
D O I：
10.1016/j.ijhydene.2021.01.114
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Metal-organic frameworks (MOFs) are reported as potential hydrogen storage materials due to ultrahigh surface area and pore volume. However, most top-performing MOFs for hydrogen storage require strict synthesis conditions and high cost, which limits their wide applications. In this work, Cu-BTC/graphene aerogel (GA) composite is prepared at room temperature with improved hydrogen uptake at 100 bar compared with pristine Cu-BTC. To understand the mechanism of the enhanced hydrogen uptakes in the composite, grand canonical Monte Carlo (GCMC) simulation is executed for Cu-BTC/GA composites with different numbers of graphene oxide (GO) layers. It is demonstrated that the increased hydrogen uptake in Cu-BTC/GA composites is mainly ascribed to the hydrogen uptake in the interface region between Cu-BTC and GA. Additionally, the hydrogen uptake of the CuBTC/GA composites decreases as the number of GO layers increases, implicating that fewer GO layers or thinner GA is favorable for hydrogen adsorption of Cu-BTC/GA composites. (c) 2021 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
引用
收藏
页码：13097 / 13105
页数：9
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