摘要：Interfacial encoded properties of polymer adlayers adsorbed on the graphene (GE) and silicon dioxide (SiO
2) have been constituted a scaffold for the creation of new materials. The holistic understanding of nanoscale intermolecular interaction of 1D/2D polymer assemblies on substrate is the key to bottom-up design of molecular devices. We develop an integrated multidisciplinary approach based on electronic structure computation [density functional theory (DFT)
