• 文献标题:   Hydrogen adsorption performance of Cu-BTC/ graphene aerogel composite: A combined experimental and computational study
  • 文献类型:   Article
  • 作  者:   REN W, ZHUANG XD, LIU ZL, LI S
  • 作者关键词:   graphene aerogel, composite, hydrogen uptake, molecular simulation
  • 出版物名称:   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
  • ISSN:   0360-3199 EI 1879-3487
  • 通讯作者地址:  
  • 被引频次:   13
  • DOI:   10.1016/j.ijhydene.2021.01.114 EA MAR 2021
  • 出版年:   2021

▎ 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.