Authors
J Zhou, Q Wang, Qiang Sun, Puru Jena, XS Chen
Publication date
2010/2/16
Journal
Proceedings of the National Academy of Sciences
Volume
107
Issue
7
Pages
2801-2806
Publisher
National Academy of Sciences
Description
Using density functional theory, we show that an applied electric field can substantially improve the hydrogen storage properties of polarizable substrates. This new concept is demonstrated by adsorbing a layer of hydrogen molecules on a number of nanomaterials. When one layer of H2 molecules is adsorbed on a BN sheet, the binding energy per H2 molecule increases from 0.03 eV/H2 in the field-free case to 0.14 eV/H2 in the presence of an electric field of 0.045 a.u. The corresponding gravimetric density of 7.5 wt% is consistent with the 6 wt% system target set by Department of Energy for 2010. The strength of the electric field can be reduced if the substrate is more polarizable. For example, a hydrogen adsorption energy of 0.14 eV/H2 can be achieved by applying an electric field of 0.03 a.u. on an AlN substrate, 0.006 a.u. on a silsesquioxane molecule, and 0.007 a.u. on a silsesquioxane sheet. Thus …
Total citations
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Scholar articles
J Zhou, Q Wang, Q Sun, P Jena, XS Chen - Proceedings of the National Academy of Sciences, 2010