A theoretical study of different phases, morphologies, and sizes of TiO2 crystallite is presented. Comparative analysis of structure and properties of anatase, brookite, and rutile phases were performed by XRD, un-modified morphology, and bandgap. Morphology modification of the TiO2 anatase phase was done by inhibiting the most stable planes, (101) and (011). Optimization of lower bandgap values was refined by varying the crystal volumes of TiO2 with (101) inhibited planes. Based on the results, a proposal of the best alternative of TiO2 for visible light activity is proposed considering the phase, inhibition of the growth of specific planes, and crystal size.