Excess electron states and mobility in polyethylene

We review recent theoretical results of the quantum states of free electrons in several representative morphologies of polyethylene, including interfaces between lamellar and amorphous regions. Computer simulations of excess electrons in the polymeric material show a clear relationship between the degree of crystallinity and the electronic states, with important implications in the transport of free electrons due to excitation to delocalized states at room temperature. The calculated mobilities are in agreement with experimental results, in fact offering an explanation for the striking disparity in the order of magnitude of the reported experimental values.