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<p>We present a comprehensive investigation into the localized surface plasmon resonance (LSPR) properties of gold (Au), silver (Ag), and titanium nitride (TiN) nano cube monomers and homodimers. Utilizing FDTD simulations, we systematically varied geometrical parameters including particle size (20–60&#xa0;nm), interparticle gap (2–10&#xa0;nm), orientation (tip-to-tip vs. edge-to-edge), and surrounding refractive index (<i>n</i> = 1.0–1.5) to unravel their influence on extinction spectra and near-field enhancement behaviour. Silver nanocubes consistently emerged as the superior performer, delivering the strongest field localization (&gt; 100×), sharp and tunable resonance peaks, and rapid spectral shifts under both gap and environmental tuning. Gold offered a balanced alternative, achieving moderate enhancements (~ 15–70×) with stable performance and narrow resonance bandwidths. Remarkably, TiN, despite its broader and more damped plasmonic response, demonstrated unexpectedly high refractive index sensitivity surpassing Ag and Au when examined in edge-polarized or corner-focused configurations (RIS ~ 309&#xa0;nm/RIU). This sensitivity is attributed to corner-induced field concentration and confirms the validity of plasmon hybridization in tip-to-tip and edge-to-edge assemblies, which produce intense “hot spots” whose spectral and spatial characteristics depend sensitively on gap distance and dielectric environment. Our results guide the strategic design of plasmonic nanodevices: Ag dimers for ultra-sensitive field-driven applications (e.g., SERS, hot-electron generation), Au structures for reliable performance with minimal degradation, and TiN geometries for robust and tunable sensing in demanding operational environments.</p>

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Silver Dominance, gold Balance, and TiN robustness: engineering nano cube monomers and dimers for tunable LSPR and field enhancement

  • 期刊论文

  • 发表日期：

    2026年1月5日

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  • Jyoti Katyal,
  • Jagdeesh,
  • Vijay,
  • Pankaj Pathania

摘要

We present a comprehensive investigation into the localized surface plasmon resonance (LSPR) properties of gold (Au), silver (Ag), and titanium nitride (TiN) nano cube monomers and homodimers. Utilizing FDTD simulations, we systematically varied geometrical parameters including particle size (20–60 nm), interparticle gap (2–10 nm), orientation (tip-to-tip vs. edge-to-edge), and surrounding refractive index (n = 1.0–1.5) to unravel their influence on extinction spectra and near-field enhancement behaviour. Silver nanocubes consistently emerged as the superior performer, delivering the strongest field localization (> 100×), sharp and tunable resonance peaks, and rapid spectral shifts under both gap and environmental tuning. Gold offered a balanced alternative, achieving moderate enhancements (~ 15–70×) with stable performance and narrow resonance bandwidths. Remarkably, TiN, despite its broader and more damped plasmonic response, demonstrated unexpectedly high refractive index sensitivity surpassing Ag and Au when examined in edge-polarized or corner-focused configurations (RIS ~ 309 nm/RIU). This sensitivity is attributed to corner-induced field concentration and confirms the validity of plasmon hybridization in tip-to-tip and edge-to-edge assemblies, which produce intense “hot spots” whose spectral and spatial characteristics depend sensitively on gap distance and dielectric environment. Our results guide the strategic design of plasmonic nanodevices: Ag dimers for ultra-sensitive field-driven applications (e.g., SERS, hot-electron generation), Au structures for reliable performance with minimal degradation, and TiN geometries for robust and tunable sensing in demanding operational environments.