On the Structural and Mechanical Properties of Poly(Phenylacetylene) Truss‐Like Hexagonal Hierarchical Nanonetworks

• Published in: physica status solidi (b) 2017-12, Vol.254 (12), p.n/a
• Main Authors: Grima‐Cornish, James N., Grima, Joseph N., Evans, Kenneth E.
• Format: Article
• Language: English
• Subjects: auxetics; graphene; graphyne; mechanical properties; metamaterials; polyphenlacetylene
• ISSN: 0370-1972; 1521-3951
• DOI: 10.1002/pssb.201700190

A novel class of hexagonal nanoscale honeycombs made from penta and tetra substituted polyphenlyacetylenes is proposed and modeled as crystalline systems using force‐field based simulations. It is shown that, in‐plane, these systems behave rather similarly to crystalline forms of graphyne, graphdiyne, and other fully substituted equivalents but benefit from the presence of larger pores which makes them less stiff and may enable them to be used in a wider range of applications such as nanofiltration. It is also shown that at large strains these systems have the potential to exhibit auxetic out‐of‐plane behaviour, a property which can be manifested in other triangulated systems and can be explained from buckling of some nanoribs in the systems. A novel class of partially substituted graphyne/graphdiyne‐like hexagonal nanoscale honeycombs having large pores are proposed and shown to exhibit auxetic out‐of‐plane characteristics at high strains. The combination of auxeticty, presence of large pores, and reduced stiffness when compared to their fully substituted counterparts, render them more versatile and usable in a wider range of applications.