Computational examination of the structural-electronic characteristic of arylamine electron-donating antennas on the performance of ruthenium sensitizers for dye-sensitized solar cells

The computational studies were applied to understand the structural-electronic impact of the arylamine electron-donating antennas on the performances of the ruthenium complexes for dye-sensitized solar cells. Three ruthenium complexes functionalized with different arylamine electron-donating antennas (N,N-diethyl-aniline in RC-1, julolidine in RC-2 and N,N-dibenzyl-aniline in RC-3) are selected to be examined because the mentioned arylamines are showed excellent performance as electron-donating antenna in the efficient ruthenium sensitizers.