This study numerically investigates the thermal behavior and airflow characteristics of the building-integrated photovoltaic (BIPV) façade. A three-dimensional model is developed based on the typical BIPV façade. Computational fluid dynamics (CFD) with the shear stress transport (SST) κ-omega turbulent model is used in the study. The effects of geometric configurations on the BIPV cell temperature in steady state are evaluated including the sizes of the bottom and top openings and the depth of the back air cavity (or so-called cavity depth). When the sizes of the inlet and outlet openings are the same, the effects on the decrease of cell temperature are limited. By enlarging the bottom (inlet) opening, the impact of ventilation in the cavity behind is more significant and the cell temperature decreases. Cavity depth is also a vital factor affecting BIPV cell temperature. The paper identifies the optimal cavity depth of approximately 100–125 mm. Flow disturbance and a vortex may be observed at the bottom and top of the air cavity, respectively, as the cavity depth increases which negatively affects the ventilation causing these flow disturbances to increase the cell temperature. Thermal effects of environmental conditions are compared with regard to two selected BIPV configurations. The wind velocity and the attack angle also have an obvious impact on cell temperature. Ambient temperature and solar irradiance exhibit a linear relationship with BIPV cell temperature as expected.