Multilayer Plasmonic Nanodisk Arrays for Enhanced Optical Hydrogen Sensing

Plasmonic metasurfaces that convert hydrogen-induced dielectric changes into optical signals hold promise for next-generation hydrogen sensors. Here, we employ simulations and theoretical analysis to systematically assess single-layer, bilayer, and trilayer nanodisk arrays comprising magnesium, palladium, and noble metals. Although monolithic Mg nanodisks show strong optical contrast after hydrogenation, the corresponding surface plasmon resonance disappears completely, preventing quantitative spectral tracking. In contrast, bilayer heterostructures, particularly those combining Mg and Au, achieve a resonance red-shift of Δλ = 62 nm, a narrowed full width at half maximum (FWHM) of 207 nm, and a figure of merit (FoM) of 0.30. Notably, the FoM is boosted by up to 15-fold when tuning both material choice and stacking sequence (from Mg-Ag to Au-Mg), underscoring the critical role of interface engineering. Trilayer “sandwich” architectures further amplify performance, achieving a max 10-fold and 13-fold enhancement in Δλ and FoM, respectively, relative to its bilayer counterpart. Particularly, the trilayer Mg-Au-Mg reaches Δλ = 120 nm and FoM = 0.41, outperforming most previous plasmonic hydrogen sensors. These enhancements arise from maximized electric-field overlap with dynamically changing dielectric regions at noble-metal–hydride interfaces, as confirmed by first-order perturbation theory. These results indicate that multilayer designs combining Mg and noble metals can simultaneously maximize hydrogen-induced spectral shifts and signal quality, providing a practical pathway toward high-performance all-optical hydrogen sensors.