Document Type
Article
Original Publication Date
2011
Journal/Book/Conference Title
Applied Physics Letters
Volume
99
Issue
16
DOI of Original Publication
10.1063/1.3653465
Date of Submission
March 2015
Abstract
It has been a long-standing dream to have high surface area materials with isolated and exposed transition-metal ions for hydrogen storage. The flexible synthesis procedure proposed recently by M. Abel, et al. [J. Am. Chem. Soc. 133, 1203 (2011)] and A. Sperl et al. [J. Am. Chem. Soc. 133, 11007 (2011)] provides a different pathway to achieve this goal. Using first-principles theory and grand canonical Monte Carlo simulation, we carry out a systematic study of 3d transition metals (Sc to Zn)-phthalocyanine porous sheets and find that Sc-phthalocyanine can store 4.6 wt. % hydrogen at 298 K and 100 bar.
Rights
Lu, K., Zhou, J., Zhou, L., et al. Sc-phthalocyanine sheet: Promising material for hydrogen storage. Applied Physics Letters, 99, 163104 (2011). Copyright © 2011 AIP Publishing LLC.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.3653465