DOI: 10.5281/zenodo.18346878
title: Dataset for the article "Plasmonic–Diamond Hybrids: Tunable Optical and Thermal Response for Nanoscale Applications"

description: Dataset for the article "Plasmonic–Diamond Hybrids: Tunable Optical and Thermal Response for Nanoscale Applications"

Muhammad QAMAR, Ghulam ABBAS, Bohuslav REZEKFaculty of Electrical Engineering, Czech Technical University in Prague, Prague, Czech Republic, EU

Figure 1: Schematic of the simulation model in RF simulations. (a) The interaction of an electromagnetic wave with diamond nanoparticle surrounded by metal nanoparticles (mNPs) cluster with the interparticle distance of 5 nm (b) Metal-diamond nanoparticles cluster placed inside the shell where water is surrounding medium (c) The Thickness of the Surrounding Medium (tSM) and Thickness of Perfectly Matched Layer (tPML) of nanocluster (d) Finite element mesh representation of a core-shell metal-diamond nanoparticle cluster.

Figure 2: Comparison of absorbance cross-section intensity trends for varying numbers of mNPs with and without DNP at the center of cluster with the interparticle distance of 5 nm between them. (a) Absorption cross-section by changing the number of AuNPs around the DNP placed at the center of the cluster (b) Without DNP at the center of the cluster (c) Displays the linear trend in absorbance intensity as a function of changing the number of AuNPs for both cases (with and without DNP at the center), demonstrating that absorbance is higher with ND compared to without ND at the center of the cluster. (d) Absorption cross-section by changing the number of AgNPs with DNP placed at the center of the cluster (e) without DNP at the center of the cluster. (f) illustrates the non-linear variation in absorbance intensity by changing the number of AgNPs with and without ND at the center of the cluster, highlighting the influence of ND in enhancing the plasmonic response.

Figure 3: Absorbance cross-section by changing the interparticle distance from 0 to 5 nm for mNPs cluster with conductive and non-conductive DNP at the cluster's center. (a) A conductive DNP at the center, surrounded by AuNPs cluster. (b) For non-conductive DNP at the center by AuNPs cluster. (c) Illustrates the decreasing trend in absorbance intensity with increasing interparticle distance for conductive and non-conductive ND at the center of cluster, highlighting stronger absorption for conductive ND. (d) A conductive DNP at the center of cluster, surrounded by AgNPs. (e) For non-conductive DNP at the center of the cluster. (f) Displays the variation in absorbance intensity with interparticle distance for conductive and non-conductive ND at the center of cluster, highlighting a non-linear trend in enhanced absorption for conductive ND as compared to non-conductive. 

Figure 4: The effect of the Electric field (V/m) around a diamond surrounded by AuNPs as a function of interparticle distance from (a) to (f) shows the field intensity profiles for distances d = 0, 1, 2, 3, 4, and 5 nm, respectively, showing the gradual reduction in field intensity and coupling strength. (g) The plot of electric field enhancement versus interparticle distance for gold nanoparticles highlights the rapid decline in field intensity with increasing interparticle distance between AuNPs. (h) A similar trend was observed for silver nanoparticles, with significantly higher field enhancement than gold. These results emphasize the dependence of plasmonic field enhancement on interparticle distance for mNPs.

Figure 5: Analysis of maximum electric field on varying the number of mNPs in the cluster, comparison of  configurations with and without a diamond at the cluster center. (a) Maximum electric field as the number of AuNPs is varied with and without diamond at the cluster center. The presence of a diamond at the center of the cluster suppresses the field enhancement, while in its absence, plasmonic coupling strengthens the field. (b) Analysis for the AgNPs shows the decrease in the electric field when ND is at the center of the AgNPs cluster, but cluster without ND at the center shows a non-monotonic trend.

Figure 6: The Impact of refractive indices (1 to 1.52) on absorbance intensity, resonance wavelength shift, and electric field enhancement on metal-diamond nanoparticle cluster. (a) Absorbance cross-section of gold nanoparticles (b) Absorbance cross-section of silver nanoparticles. (c) Relationship between the resonance wavelength shift (λmax) and electric field enhancement (EEnh) as a function of refractive index for gold nanoparticles, highlighting a linear trend in the visible range. (d) Corresponding analysis for silver nanoparticles, further emphasizing the sensitivity of plasmonic systems to changes in the surrounding refractive index.

Figure 7. Temperature distribution maps and average temperature variation for mNPs when ND is at the center of cluster, as a function of interparticle distance, (a-f) Temperature field around the AuND. (g) For Au, non-monotonic trend is observed with a maximum at d = 1 nm, attributed to strong gap-plasmon coupling; temperature decreases as coupling weakens as the interparticle increase. (h)For Ag, temperature increases with d and then saturates, consistent with distance-controlled spectral matching of the hybrid plasmon to the excitation. In both materials, the conductive diamond core yields slightly higher temperatures than the non-conductive core. 

Figure 8. Effect of cluster size on thermoplasmonics heating for gold and silver nanoparticle clusters with and without diamond.(a) Gold (Au): Steady-state temperature versus number of NPs arranged around a central diamond core (25-nm radius), compared with and without ND. Temperature increases monotonically by increasing the NP, and the with-diamond configuration is consistently hotter, indicating enhanced near-field confinement and larger effective absorption. (b) Silver (Ag): Temperature versus no of NP count with and without diamond core. A clear non-monotonic response is observed: heating rises sharply to a maximum at an intermediate size (6 NPs) and then decreases as the cluster grows further, consistent with an optimum in collective plasmon coupling followed by radiative/multipolar losses and spectral detuning. In both materials, all simulations use the same illumination and a fixed interparticle spacing (5 nm).

Abstract:Hybrid metal–diamond nanostructures unlock new opportunities for precision plasmonics and nanoscale thermal control. Here, we employ frequency domain finite-element simulations to elucidate the optical and thermoplasmonic behavior of gold and silver nanoparticle clusters integrated with a nanodiamond core. By systematically varying interparticle spacing, cluster size, core conductivity, and dielectric environment, we reveal how nanodiamond incorporation reshapes near-field coupling, amplifies absorption, and modulates resonance shifts. Conductive cores deliver stronger plasmon hybridization and enhanced photothermal response, while refractive-index tuning induces pronounced spectral redshifts, particularly in silver clusters with sharp multipolar resonances. Coupling plasmonic with thermal modeling uncovers role of nanodiamond as nanoscale heating enhancer. These insights establish design principles for plasmonic–diamond architectures, enabling high-sensitivity sensing, controlled nanoheating, and integrated photonic platforms.

Keywords: plasmonic nanostructures; nanodiamond; near-field coupling; thermoplasmonics; refractive-index sensitivity.