Novel 2D micro-porous Metal-Organic Framework for hydrogen storage

Ozturk Z., KÖSE D. A., ŞAHİN Z. S., ÖZKAN G., ASAN A.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, cilt.41, sa.28, ss.12167-12174, 2016 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 41 Sayı: 28
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1016/j.ijhydene.2016.05.170
  • Dergi Adı: INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.12167-12174
  • Anahtar Kelimeler: Hydrogen storage, 2D MOFs, Molecular simulation, MOLECULAR SIMULATION, SURFACE-AREA, ADSORPTION, SORPTION, SITES, H-2, CU-3(BTC)(2), STABILITY, CRYSTAL, VOLUME
  • Gazi Üniversitesi Adresli: Evet

Özet

A novel two dimensional Metal-Organic Framework (MOF) structured compound with trimesic acid (TMA), 1,10 Phenantroline (Phen) and Cu(II) building blocks were synthesized and characterized experimentally. Then Grand Canonical Monte Carlo (GCMC) simulation calculations used for determination of hydrogen adsorption capacity and surface characteristics of the compound theoretically. Three different regions were determined for the adsorbent, which were micro, micro/sub-meso spaces inside the adsorbent and the surface regions. It is found that the synthesized compound could uptake approx. 1.3 and 1.2 wt.% hydrogen at 77 K, 100 bars and 1 bar respectively. Thus the adsorbent that is synthesized in this work have strong hydrogen adsorption capability in comparison to the previously reported ones. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.