Electric field enhanced hydrogen storage on polarizable materials substrates

摘要: 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 molecules on number nanomaterials. When one H2 adsorbed BN sheet, binding energy per molecule increases from 0.03 eV/H2 in field-free case to 0.14 eV/H2 presence 0.045 a.u. The corresponding gravimetric 7.5 wt% consistent with 6 wt% system target set Department Energy for 2010. strength be reduced if substrate more polarizable. For example, adsorption achieved applying 0.03 a.u. AlN substrate, 0.006 a.u. silsesquioxane molecule, and 0.007 a.u. sheet. Thus, application provides novel way store hydrogen; once removed, stored easily released, thus making reversible fast kinetics. In addition, materials rich low-coordinated nonmetal anions are highly serve as guide design materials.