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<p>Localized surface plasmon resonance (LSPR) in metallic nanostructures enables efficient light-to-heat conversion, presenting a transformative approach for thermal management in biomedical, energy, and optoelectronic applications. While the photothermal properties of plasmonic materials are widely recognized, the multi-scale mechanisms governing heat generation and dissipation across different nanostructure geometries remain insufficiently understood. This study addresses the lack of an integrated framework by combining theoretical and experimental methods to evaluate LSPR-driven heat transfer in spherical gold nanoparticles (AuNPs), silver nanocube arrays (AgNCs), and gold–silver core–shell nanorods (Au@Ag NRs). Finite-difference time-domain simulations, molecular dynamics modeling, and FEM-based thermal transport analysis were employed alongside experimental tools including UV–Vis-NIR spectroscopy, infrared thermography, scattering-type near-field scanning optical microscopy imaging, and transient absorption spectroscopy. Results revealed that AgNCs demonstrated the highest near-field enhancement and thermal conductivity improvement (~ 34.9%), while Au@Ag NRs exhibited directional heat transfer with anisotropic heating up to 6.4&#xa0;°C along the rod axis. AuNPs served as a baseline, showing symmetric but lower-intensity heating. These findings confirm that particle geometry, material composition, and coupling effects critically influence heat localization and dissipation. The integrated approach offers new design principles for thermoplasmonic applications and sets a precedent for future work involving hybrid materials and dynamic thermal modulation.</p>

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Multi-Scale Modeling of Localized Surface Plasmon Resonance–Driven Heat Transfer in Plasmonic Nanomaterials: A Comparative Study

  • 期刊论文

  • 发表日期：

    2025年5月28日

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  • Ratchagaraja Dhairiyasamy,
  • Deepika Gabiriel,
  • Deekshant Varshney,
  • Subhav Singh

摘要

Localized surface plasmon resonance (LSPR) in metallic nanostructures enables efficient light-to-heat conversion, presenting a transformative approach for thermal management in biomedical, energy, and optoelectronic applications. While the photothermal properties of plasmonic materials are widely recognized, the multi-scale mechanisms governing heat generation and dissipation across different nanostructure geometries remain insufficiently understood. This study addresses the lack of an integrated framework by combining theoretical and experimental methods to evaluate LSPR-driven heat transfer in spherical gold nanoparticles (AuNPs), silver nanocube arrays (AgNCs), and gold–silver core–shell nanorods (Au@Ag NRs). Finite-difference time-domain simulations, molecular dynamics modeling, and FEM-based thermal transport analysis were employed alongside experimental tools including UV–Vis-NIR spectroscopy, infrared thermography, scattering-type near-field scanning optical microscopy imaging, and transient absorption spectroscopy. Results revealed that AgNCs demonstrated the highest near-field enhancement and thermal conductivity improvement (~ 34.9%), while Au@Ag NRs exhibited directional heat transfer with anisotropic heating up to 6.4 °C along the rod axis. AuNPs served as a baseline, showing symmetric but lower-intensity heating. These findings confirm that particle geometry, material composition, and coupling effects critically influence heat localization and dissipation. The integrated approach offers new design principles for thermoplasmonic applications and sets a precedent for future work involving hybrid materials and dynamic thermal modulation.