As energy saving emerges as a critical factor for the sustainable development of humankind, the importance of Zero-Energy Buildings (ZEB) is gradually increasing. Therefore, much research is being conducted on high-efficiency renewable energy technologies that can be applied in urban areas. However, increasing the efficiency of BIPV were proposed and studied because of the need for the renewable energy source. Such as using phase change material (PCM), heat fin, wavelength selection, PV surface temperature decreasing or using a thermoelectric generator (TEG), and convection cooling utilizing the waste heat from the PV. In most previous studies, the performance when each method was analyzed through experiments or simulations. However, the design analysis for maximum performance still needs to be conducted. Therefore, a BIPV combined with a PCM and TEG (BIPV-TEG-PCM) design is analyzed in this study. Herein, the three variables (phase change temperature of the PCM, heat fin spacing in the PCM container, and TEG arrangement) were analyzed through computational fluid dynamics (CFD)-based simulations. Moreover, through multi-objective optimization, the BIPV-TEG-PCM system of the optimal design was derived. Analysis results of the appropriate melting temperature of PCM, heat fin interval, and arrangement of TEG for the proposed system are 40 °C, 12.4 mm, and 187 mm, respectively.