In this presentation, we will discuss the results of recent electronic-structure calculations and molecular-dynamics simulations on:<br/>monolayers of two-dimensional polymer networks (covalent organic frameworks); here, we will detail how the symmetry of the repeat units (i) including there-arm and four-arm cores– and of the lattice influences the nature of the electronic bands (either totally flat or dispersive) at/near the Fermi energy; and<br/>(ii) interfaces between such two-dimensional conjugated-polymer monolayers and substrates such as gold or boron nitride; in particular, we will describe the energy-level alignments at these interafaces.

Electronic structure of two-dimensional pi-conjugated networks: Impact of lattice symmetry

253rd National Meeting (2017)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.