Effect of Side Groups for Ruthenium Bipyridyl Dye on the Interactions with Iodine in Dye-Sensitized Solar Cells

A density functional theory (DFT) study was performed to elucidate the effect of the side group (X) in Ru(H2dcbpy)(X2bpy)(NCS)2 dye on the interactions with iodide ions (I– and I3–) and iodine mole...

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