Quantum Chemical Investigations of Structural Parameters of PVDF-based Organic Ferroelectric Materials

Optical Properties of Ag/Polyvinylidene Fluoride Nanocomposites: A Theoretical Study

“…Pure PVDF has a large band gap of almost 7 eV [see Figure (a)], comparable to experimentally reported values of ≈6.5 eV. , NP A has a discrete spectrum and is also an insulator [see Figure (b)], as are the other NPs investigated here. However, their HOMO−LUMO gaps are much smaller than that of PVDF, and they have many states within a few electronvolts of the Fermi level.…”