A study of thermal stability, vibrational spectroscopy, electric response and linear and nonlinear optical properties of pure PVP polymer for solar cell and NLO devices

A thermal stability, vibrational spectroscopy, electric response, linear and nonlinear optical (NLO) properties and optical properties of pure PVP polymer for solar cell device are investigated. The optimized geometry of the structural unit and oligomer (10 structural unit) of PVP polymer are shown. Absorption peaks in IR and Raman spectra are analyzed. The net atomic charges of PVP, obtained by means of Mulliken population analysis are studied. The electrostatic potential with respect to the surface at constant electron density is portrayed. Optical absorbance A(lambda) spectrum of pure PVP is illustrated. The absorption spectrum of PVP polymer is studied and optical gap of PVP is determined. The DOS spectrum and the distributions of the HOMO and LUMO orbitals are represented. Effect of light on current-voltage measurement is evidenced recording an open circuit voltage of 0.25 V and short circuit current of 3.9 mu A at 150 W/cm(2).

Automated summary

The thermal stability, vibrational spectroscopy, electric response, linear and nonlinear optical properties, and optical properties of pure PVP polymer for solar cell device are studied. The optimized geometry of the structural unit and oligomer of PVP polymer is shown. The absorption peaks in IR and Raman spectra are analyzed. The net atomic charges of PVP are obtained via Mulliken population analysis, and the electrostatic potential with respect to the surface at constant electron density is depicted. The optical absorbance spectrum of pure PVP is illustrated, and the absorption spectrum and optical gap of PVP polymer are determined. The DOS spectrum and the distributions of the HOMO and LUMO orbitals are represented. The effect of light on current-voltage measurement is demonstrated by recording an open circuit voltage of 0.25 V and a short circuit current of 3.9 μA at 150 W/cm(2).