We develop a series of porphyrin sensitizers with electron-deficit heterocycles based on the well-known YD2-o-C8 dye for application in dye-sensitized solar cells with the help of ab initio density functional theory calculations and quantum dynamics simulation based on the tight-binding extended Hilckel Hamiltonian at the semiempirical level. The calculation results show that introduction of electron-deficit heterocycles into the porphyrin dyes can remarkably red-shift and broaden the Q band of the absorption spectrum and extend the coverage into near infrared region, improving the light-harvesting ability. The key parameters influencing the photocurrent and photovoltage performance such as maximum short-circuit photocurrent (J(sc)(max)), intramolecular charge transfer, interface electron injection, and the shift of TiO2 conduction band edge (Delta E-CB) are superior to YD2-o-C8 dye. Therefore, the designed sensitizers would be promising candidate for utilization in dye-sensitized solar cells.