Kusama, Hitoshi; Konishi, Yoshinari; Sugihara, Hideki published the artcile< Data mining assisted by theoretical calculations for improving dye-sensitized solar cell performance>, Application of C4H5BrN2, the main research area is data mining theor calculation dye sensitized solar cell performance.
Data mining using exptl. data and information generated from theor. calculations is proposed to study dye-sensitized solar cells, which are complex systems. This method led to new knowledge about the influence of imidazole derivatives as additives in an electrolytic solution on the cell performance. It was found that the solar energy conversion efficiency is strongly correlated to the Mulliken charge of the carbon atom at position 4 in the imidazole group. This result indicates that data mining assisted by theor. calculations should facilitate the rate that cell performance is improved.
Solar Energy Materials & Solar Cells published new progress about Density functional theory (GGA, PBE-functional, DNP). 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, Application of C4H5BrN2.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem