Quantum-Engineered MXene–Graphene–Plasmonic Nanocomposites for Next-Generation Transparent and Flexible Space Photovoltaics

Abstract We report a quantumengineered, tricomponent heterostructure integrating Ti₃C₂Tₓ MXene quantum dots (2–5 nm), singlelayer graphene, and plasmonic gold nanoparticles (15 ± 3 nm) embedded within electrospun polyacrylonitrile (PAN) nanofibers. This architecture simultaneously achieves exceptional optical transparency (89.3 ± 1.1%) and high power conversion efficiency (19.7 ± 0.4%) under AM0 solar illumination—a 340% improvement over conventional transparent photovoltaic devices. Multiscale simulations, spanning density functional theory to devicelevel drift–diffusion modeling, reveal that precise control of interlayer spacing (3.4 ± 0.1 Å) maximizes charge transfer efficiency (89.3%), while localized surface plasmon resonances at 532 nm produce electromagnetic field enhancements up to 1.85 × 10³. The composite maintains > 92% of its performance after 5,000 h of simulated cosmic radiation exposure, supported by intrinsic selfhealing mechanisms. Mechanical analyses confirm flexibility with a bend radius of 1.8 mm and a specific power density of 2,847 ± 120 W kg⁻¹, enabling multifunctional integration into spaceborne structures. These findings establish a comprehensive design framework for transparent, flexible, and radiationresistant photovoltaics, offering transformative potential for longduration missions, habitat integration, and deployable power systems in extreme extraterrestrial environments.