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<p>This study presents the design, electromagnetic modeling, and numerical evaluation of a multi-layer terahertz (THz) metasurface biosensor for label-free peptide detection. The sensor uses a stacked resonator architecture with a central MXene (Ti₃C₂Tₓ) circular disk, BaTiO₃ rectangular resonators, a WS₂ annular ring, a phosphorene square ring, and a graphene backplane on a SiO₂ substrate. Aptamer functionalization enables selective recognition of target peptides. Full-wave simulations in COMSOL Multiphysics show peak transmission stability exceeding 98.6% and a modulation depth of 32.58% across three material configurations. Resonance frequency shifts exhibit a linear relationship with refractive index (R2 = 0.941). The sensor reaches a maximum sensitivity of 1250&#xa0;GHz/RIU, a figure of merit of 21.777 RIU⁻<sup>1</sup>, a quality factor of 15.80, and a minimum detection limit of 0.056 RIU. Electric field analysis shows a hybrid coupled mode at 0.823 THz with peak enhancement of 1.4 × 10⁸ V/m across all resonators. Angular stability tests indicate robust resonance up to 80° incidence, with one configuration showing the lowest transmission degradation. A Polynomial model trained on angular transmission data achieves mean R2 = 0.9996 and mean MAPE = 0.115%, confirming the consistency of the sensor response and providing a surrogate for rapid design optimization.</p>

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Ultra-high sensitivity terahertz metasurface biosensor based on MXene–BaTiO₃–WS₂–phosphorene–graphene heterostructure for label-free peptide detection

  • 期刊论文

  • 发表日期：

    2026年7月3日

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  • Mona Alharbi,
  • Jacob Wekalao,
  • Emad Solouma,
  • Hussein A. Elsayed,
  • Ahmed Mehaney,
  • Amuthakkannan Rajakannu,
  • Ngaira Mandela

摘要

This study presents the design, electromagnetic modeling, and numerical evaluation of a multi-layer terahertz (THz) metasurface biosensor for label-free peptide detection. The sensor uses a stacked resonator architecture with a central MXene (Ti₃C₂Tₓ) circular disk, BaTiO₃ rectangular resonators, a WS₂ annular ring, a phosphorene square ring, and a graphene backplane on a SiO₂ substrate. Aptamer functionalization enables selective recognition of target peptides. Full-wave simulations in COMSOL Multiphysics show peak transmission stability exceeding 98.6% and a modulation depth of 32.58% across three material configurations. Resonance frequency shifts exhibit a linear relationship with refractive index (R2 = 0.941). The sensor reaches a maximum sensitivity of 1250 GHz/RIU, a figure of merit of 21.777 RIU⁻1, a quality factor of 15.80, and a minimum detection limit of 0.056 RIU. Electric field analysis shows a hybrid coupled mode at 0.823 THz with peak enhancement of 1.4 × 10⁸ V/m across all resonators. Angular stability tests indicate robust resonance up to 80° incidence, with one configuration showing the lowest transmission degradation. A Polynomial model trained on angular transmission data achieves mean R2 = 0.9996 and mean MAPE = 0.115%, confirming the consistency of the sensor response and providing a surrogate for rapid design optimization.