1 research outputs found
Identifying Atomic Scale Structure in Undoped/Doped Semicrystalline P3HT Using Inelastic Neutron Scattering
The
greatest advantage of organic materials is the ability to synthetically
tune desired properties. However, structural heterogeneity often obfuscates
the relationship between chemical structure and functional properties.
Inelastic neutron scattering (INS) is sensitive to both local structure
and chemical environment and provides atomic level details that cannot
be obtained through other spectroscopic or diffraction methods. INS
data are composed of a density of vibrational states with no selection
rules, which means that every structural configuration is equally
weighted in the spectrum. This allows the INS spectrum to be quantitatively
decomposed into different structural motifs. We present INS measurements
of the semiconducting polymer P3HT doped with F4TCNQ supported by
density functional theory calculations to identify two dominant families
of undoped crystalline structures and one dominant doped structural
motif, in spite of considerable heterogeneity. The differences between
the undoped and doped structures indicate that P3HT side chains flatten
upon doping