Abstract
Within the methods of the electron density functional and the ab initio pseudopotential, we have obtained the spatial distributions of the density of valence electrons, density of electron states, band gap, valence band, and charge for the cellulose-based model composite structures under mechanical influences, using authors’ program complex. It is determined that the electronic properties of composite structures based on nanocellulose can be controlled, for example, by changing the distance between the layers of composite components that happens during a mechanical compression or stretching.
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