<p>In this study, a novel synthesis of multilayer Ti₃C₂ and its various conductive polymer-based NCs was prepared using the microwave exfoliation technique. The developed Ti₃C₂ NCs were evaluated through electrochemical investigations employing a three-electrode system, and the respective materials were also examined via DFT. The incorporation of Ti₃C₂, which exhibited a specific capacitance of 250 F g⁻¹, significantly increased the overall specific capacitance (SCs). This enhancement was further improved by the NCs PPy-Ti₃C₂, PANI-Ti₃C₂, and PDOT-Ti₃C₂ at a current density of 2 Ag⁻¹. Symmetric coin cell devices were subsequently fabricated using PPy-Ti₃C₂ (368 Fg⁻¹), PANI-Ti₃C₂ (398 Fg⁻¹), and PDOT-Ti₃C₂ (436 Fg⁻¹) as electrode materials. The results indicated that the SCs of PPy-Ti₃C₂, PANI-Ti₃C₂, and PDOT-Ti₃C₂ were significantly increased at a current density of 2 Ag⁻¹. For this material, the capacity retention was calculated to assess the charge storage stability at 10,000 cycles, and it was noted that PPy-Ti₃C₂, PANI-Ti₃C₂, and PDOT-Ti₃C₂ (93%) were slightly less stable than Ti₃C₂ (96%). Furthermore, the molecular structure of the composite was optimized by DFT studies carried out using the NWChem program basis set. Among all the Ti₃C₂ NCs, the PDOT-based Ti₃C₂ NC exhibited the highest dipole moment, indicating excellent charge storage capability. Also, DOS analysis revealed that all the NCs have low band gaps, enhancing their suitability for conductive applications.</p>