Stress-modulated mechanoluminescence in MXene-graphene–PVDF nanofiber composites for space-compatible sensing

Space missions require sensing systems capable of operating reliably under conditions of high radiation, extreme temperatures, and mechanical strain. This study presents a computational investigation of Ti 3 C 2 T[Formula: see text] MXene–graphene heterostructures embedded in electrospun polyvinylidene fluoride (PVDF) nanofibers for stress-dependent mechanoluminescent sensing. Using density functional theory and molecular dynamics simulations, the structural and electronic characteristics of the heterostructure were examined under varying tensile strain. Results indicate that an interlayer spacing of 3.2 Å between MXene quantum dots (QDs) and single-layer graphene facilitates efficient charge transfer, accompanied by band gap modulation and strain-controlled emission wavelengths. Incorporation of gold nanoparticles provides localized plasmonic enhancement, increasing field intensity at the filler–matrix interface. Simulated radiation exposure scenarios suggest retention of mechanoluminescent performance through intrinsic defecthealing processes. The composite exhibits stable optical response between − 180[Formula: see text]C and [Formula: see text] 120[Formula: see text]C, as well as mechanical flexibility suitable for integration into lightweight-sensing modules. These findings outline material and design parameters for developing strain-responsive luminescent sensors intended for use in space or other harsh operational environments.