Designing new 2D nanomaterials: debunking carbon allotropes, and learning from polymer chemists
Chris Ewels IMN
Abstract:
Since the explosion of interest in graphene, there has been an ongoing search to discover new 2D materials. Much of this has been driven by theoretical modelling, with new allotropes appearing regularly in the literature. We start by discussing some of these, and how to sort the possible from the unrealistic. A critical reading suggests that many of the current literature propositions (such as silicene, pentagraphene and others) are unlikely to lead to the breakthroughs proposed. Instead of focussing on new allotrope production, there are other routes to producing new nanomaterials, such as chemical functionalisation. Drawing on ideas from conjugated polymer chemistry, we look at different possibilities for developing new 1D and 2D materials, using density functional atomic-scale models to predict materials behaviour under external stimuli.