Insights on the Bonding Mechanism, Electronic and Optical Properties of Diamond Nanothread-Polymer and Cement-Boron Nitride Nanotube Composites.

The success of composite materials is attributed to the nature of bonding at the nanoscale and the resulting structure-related properties. This study reports on the interaction, electronic, and optical properties of diamond nanothread/polymers (cellulose and epoxy) and boron nitride nanotube/calcium silicate hydrate composites using density functional theory modeling. Our findings indicate that the interaction between the nanothread and polymer is due to van der Waals-type bonding.