ACS Applied Materials & Interfaces · 2019 · 81 citations · 37 references
Natural SciencesMaterials EngineeringMaterials ScienceMaterials ChemistryNanomaterialsPolymer ChemistryHigh-performance PolymersHybrid MaterialsHybrid NanomaterialsMicrowave MaterialsOrganic Electronic MaterialsPolymerization ChemistryIntercalation PolymersInterfacial PolarizationMicrowave AbsorptionMicrowave Impedance MatchingPolarizationPolyanilineStructural Resonanceπ-π Interactions
An intercalation polymerization is applied to regulate the hybridizing structures of polyaniline@graphene (PANI@GE). Polarization of GE sheets is realized, which is attributed to the hybridization by the in situ intercalation-polymerized PANI molecules. The polarizing effect on GE is confirmed by characterizations and density functional theory calculations, and the results indicate that distinct p-π and π-π interactions exist between the PANI molecules and the GE sheets. As a result, this new structural hybrid leads to a high performance of microwave absorption. The minimum reflection loss (RL) of the optimized PANI@GE hybrid can be as low as -64.3 dB at 10.1 GHz with the RL bandwidth of -10 dB being 5.1 GHz (from 8.6 to 13.7 GHz). A further study reveals a special mechanism for the electromagnetic energy consumptions by the structural resonance of the polarized GE-based hybrids, a complex macromolecule. In addition, the fully separated GE provides a good impedance matching, together with the widely held multiscaled relaxations of the interfacial polarization.
37
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text