An investigation into the structural, electronic, and non-linear optical properties in CN (N = 20, 24, 26, 28, 30, 32, 34, 36, and 38) fullerene cages

Abstract

The present study attempts to investigate the structural, electronic, and non-linear optical properties of C N

A Joint Theoretical and Experimental Study on a Tetrazole‐Anchored BODIPY‐Based Dye at the Surface of TiO2 for Dye‐Sensitized Solar Cell Applications

“…Furthermore, the β tot of BODIPY dye was compared with that of commonly used organic reference urea molecule. [ 58 ] The β tot value of BODIPY dye is observed to be 18.2 times higher than that of the urea molecule β tot value.…”

“…As shown in Figure , the most negative electrostatic potential was shown in red while the most positive electrostatic potential was presented in blue. [ 58 ]…”

“…As shown in Figure 7, the most negative electrostatic potential was shown in red while the most positive electrostatic potential was presented in blue. [58] Figure 8 shows the theoretical and experimental UV-vis spectra of the dye molecule. The estimated UV-vis spectra were used to identify the maximum absorption wavelengths (λ max ), theoretical electronic excitation energies, oscillator strength, and molecular orbital contributions.…”