Abstract
Hydrothermally grown ZnO nanorods show high interaction rates withH2 when the spacing between adjacent nanorods decreases. Density functional theory calculationsshowed the interaction between nanorod surfaces in-registry is attractive at separations < 5 Å, while it is repulsive for out-of-registry alignments, indicating that uniform nanorodsgrown with their faces aligned out-of-registry are not likely to fuse due to therepulsion between the surfaces. The separation of 5 Å was found to be sufficient forH2 to adsorb between the surfaces, resulting in a transfer of charge fromH2 to the surface, consistent with the measured increase in conductivity. This explains theability of hydrogen to adsorb on closely spaced nanorods.
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