A new approach to understand the time-dependent temperature increasing process of gold-silica core-shell nanoparticles injected into chicken tissues under near-infrared laser irradiation is proposed. Gold nanoshells strongly absorb near-infrared radiations and efficiently transform absorbed energy into heat. Temperature rise given by experiments and numerical calculations based on bioheat transfer are in good agreement. Our work improves the analysis of a recent study [Richardson et al., Nano Lett. 2009, 9, 1139 by including effects of the medium perfusion on temperature increase. The theoretical analysis can also be used to estimate the distribution of nanoparticles in experimental samples and provide a relative accuracy prediction for the temperature profile of new systems. This

Photothermal effects of gold core-shell nanoparticles and nanorods dispersed in water are theoretically investigated using the transient bioheat equation and the extended Mie theory. Properly calculating the absorption cross section is an extremely crucial milestone to determine the elevation of solution temperature. The nanostructures are assumed to be randomly and uniformly distributed in the solution. Compared to previous experiments, our theoretical temperature increase during laser light illumination provides, in various systems, both reasonable qualitative and quantitative agreement. This approach can be a highly reliable tool to predict photothermal effects in experimentally unexplored structures. We also validate our approach and discuss its limitations.

We present theoretical calculations to interpret optical and mechanical properties of Ag@Fe 3 O 4 nanoflowers. The microstructures and nature of optical peaks of nanoflowers are determined by means of the Mie theory associated with effective dielectric approximation and the experimental absorption spectrum. Under laser illumination, the thermal strain fields inside and outside the structure due to the absorbed optical energy are studied using continuum mechanics approach. Our findings provide simple but comprehensive description of the elastic behaviors of previous experiments.

We propose a simple model to interpret the optical absorption spectra of porphyrin in different solvents. Our model successfully explains the decrease in the intensity of optical absorption at maxima of increased wavelengths. We also prove the dependence of the intensity and peak positions in the absorption spectra on the environment. The nature of the Soret band is supposed to derive from π plasmon. Our theoretical calculations are consistent with previous experimental studies.

In this paper, we present the experimental result as well as the theoretical calculation of the electronic band structures and the optical absorption spectra for N-doped and Fe-doped TiO 2 anatase. The main purpose is to provide evidence in the viewpoint of visible light photocatalytic activity of N-doped and weak ferromagnetism of Fe-doped in TiO 2 anatase. Accordingly, to evaluate the separate contributions of nitrogen doping and iron doping in anatase, we present the results of spin-polarized density functional theory (DFT) calculations that have been used to calculate the electronic band structures and optical absorption spectra that arise for a range of concentrations of (i) substitutional nitrogen and (ii) substitutional iron in anatase TiO 2. Our results show that absorption in the visible range is mainly due to nitrogen states located above the valence bands, whereas weak ferromagnetism of Fe-doped in TiO 2 anatase is mainly caused by spin polarization. These results have important implications for the understanding and further development of photocatalytic materials that are active under visible light. These findings agree favorably with our own experimental data and enable conclusions to be drawn about the nature of the practical catalyst in N-doped and the ferromagnetic origin in Fe-doped TiO 2 anatase.

The photothermal energy conversion in hanging and floating polyaniline (PANi)-cotton fabrics is investigated using a model based on the heat diffusion equation.

A theoretical approach to quantitatively determine the photothermally driven enhancement of molecular mobility of graphene‐indomethacin mixtures under infrared laser irradiation is proposed. Graphene plasmons absorb incident electromagnetic energy and dissipate them into heat. The absorbed energy depends on optical properties of graphene plasmons, which are sensitive to structural parameters, and concentration of plasmonic nanostructures. By using theoretical modelling, temperature gradients of the bulk drug with different concentrations of graphene plasmons are calculated. From these, the temperature dependence of structural molecular relaxation and diffusion of indomethacin are determined and how the heating process significantly enhances the drug mobility is found out.

Herein, the plasmonic heating of graphene‐based systems under the mid‐infrared laser irradiation is theoretically investigated, where periodic arrays of graphene plasmonic resonators are placed on dielectric thin films. Optical resonances are sensitive to structural parameters and the number of graphene layers. Under mid‐infrared laser irradiation, the steady‐state temperature gradients are calculated. It is found that graphene plasmons significantly enhance the confinement of electromagnetic fields in the system and lead to a large temperature increase compared with the case without graphene. The correlations between temperature change and the optical power, laser spot, and thermal conductivity of dielectric layer in these systems are discussed. The numerical results are in accordance with experiments.