作者
J Zhou, Q Wang, Qiang Sun, Puru Jena, XS Chen
发表日期
2010/2/16
期刊
Proceedings of the National Academy of Sciences
卷号
107
期号
7
页码范围
2801-2806
出版商
National Academy of Sciences
简介
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 …
引用总数
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学术搜索中的文章
J Zhou, Q Wang, Q Sun, P Jena, XS Chen - Proceedings of the National Academy of Sciences, 2010