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<p>Using the Finite-Difference Time-Domain (FDTD) simulation tool, the effects of nanoparticle geometry and Surface Area (SA) on the optical response and Sun Protection Factor (SPF) of anatase TiO<sub>2</sub> nanoparticles were systematically investigated. Three morphologies were considered: spherical, ellipsoidal and nanobar. The resonance wavelength of the excited dipolar mode exhibited a non-linear redshift with increasing SA. As SA increased from 1000 to 12,000 nm<sup>2</sup>, the spectral shift was largest for nanobar, followed by ellipsoids and then spheres. These differences arise from variations in volume scaling and the geometry-dependent depolarization factor. Importantly, at a constant SA, ellipsoids demonstrated the highest absorption intensity and consequently the highest SPF values. This work establishes the first theoretical link between nanoparticle anisotropy, surface-area scaling, and SPF efficiency in anatase TiO<sub>2</sub>. The results suggest that ellipsoidal nanoparticles could serve as optimal candidates for high-performance, transparent sunscreen formulations, offering enhanced UV protection with reduced whitening effects.</p>

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Spectral response and sun protection factor of anatase TiO2 nanoparticles: Impact of surface area and shape

  • 期刊论文

  • 发表日期：

    2025年12月16日

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  • Sahar G. Tawfik,
  • Fatemah H. Alkallas,
  • Mohammed Alsawafta,
  • Mod Al Saleh Alothoum,
  • Shehab A. Mansour

摘要

Using the Finite-Difference Time-Domain (FDTD) simulation tool, the effects of nanoparticle geometry and Surface Area (SA) on the optical response and Sun Protection Factor (SPF) of anatase TiO2 nanoparticles were systematically investigated. Three morphologies were considered: spherical, ellipsoidal and nanobar. The resonance wavelength of the excited dipolar mode exhibited a non-linear redshift with increasing SA. As SA increased from 1000 to 12,000 nm2, the spectral shift was largest for nanobar, followed by ellipsoids and then spheres. These differences arise from variations in volume scaling and the geometry-dependent depolarization factor. Importantly, at a constant SA, ellipsoids demonstrated the highest absorption intensity and consequently the highest SPF values. This work establishes the first theoretical link between nanoparticle anisotropy, surface-area scaling, and SPF efficiency in anatase TiO2. The results suggest that ellipsoidal nanoparticles could serve as optimal candidates for high-performance, transparent sunscreen formulations, offering enhanced UV protection with reduced whitening effects.