Theoretical prediction of three-dimensionally conjugated novel polymers with excellent mechanical and electric properties: stiffer than diamond!

Is there no more possibility to produce a novel material with elastic modulus higher than diamond, starting from conventional synthetic polymers? Through the computer-aided molecular design, a simple method of introduction of three-dimensional cross-linking into a conventional polymer crystal lattice has been found to give three-dimensionally conjugated honeycomb-like structure, which has a tremendously high Youngʹs modulus of 700 – 1800 GPa. This value is remarkably higher than that of diamond crystal, 1050 GPa. Thus constructed structure of isotropically conjugated system has additional possibility to give the highly electrically-conductive polymer materials in three-dimensional directions.