FTDT simulations of local plasmonic fields for theranostic core-shell gold-based nanoparticles

Igor Kon; Andrey Zyubin; Ilia Samusev

doi:10.1364/JOSAA.395387

Journal of the Optical Society of America A
Vol. 37,
Issue 9,
pp. 1398-1403
(2020)
•https://doi.org/10.1364/JOSAA.395387

FTDT simulations of local plasmonic fields for theranostic core-shell gold-based nanoparticles

Igor Kon, Andrey Zyubin, and Ilia Samusev

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Igor Kon, Andrey Zyubin, and Ilia Samusev, "FTDT simulations of local plasmonic fields for theranostic core-shell gold-based nanoparticles," J. Opt. Soc. Am. A 37, 1398-1403 (2020)

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Abstract

The paper describes the results of finite-difference time-domain (FDTD) mathematical modeling of electromagnetic fields distortion near the surfaces of core-shell gold-based spherical gold nanoparticles (NPs). NPs were consistently functionalized by two shells of different thickness: a water shell, as a model substance for a drug, and an ${\rm SiO}_2$ shell, as a capsuling layer. The calculated field values were converted into the electromagnetic field enhancement coefficient and the surface-enhanced Raman scattering (SERS) intensity. Prospects of the theoretical approach for core-shell NPs modeling to evaluate optimal field amplification and light-scattering parameters have been shown. The presented approach could be applied as a basis for performing methods of controlled synthesis for colloidal core-shell theranostic NPs.

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Equations (16)

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Sphere Diameter, nm	Thickness of Two Shells, nm	Excitation Wavelength, nm
		400	448	509	589	700
		Local maximum of the electric field $E$
10	5	2.8	1.9	3.6	9.3	2.3
	10	3.0	2.1	3.7	9.1	1.7
	15	3.1	2.2	3.8	9.1	1.6
	20	3.2	2.3	3.9	9.0	1.6
	30	3.3	2.5	4.2	9.3	1.5
	40	4.1	4.3	6.4	7.5	2.3
20	5	2.8	1.9	3.6	9.3	2.3
	10	3.0	2.1	3.7	9.1	1.7
	15	3.1	2.2	3.8	9.1	1.6
	20	3.2	2.3	3.9	9.0	1.6
	30	3.3	2.5	4.2	9.3	1.5
	40	4.1	4.3	6.4	7.5	2.3
30	5	3.4	2.4	5.0	26.0	3.1
	10	3.3	2.3	5.0	30.0	3.6
	15	3.5	2.5	5.2	31.0	3.8
	20	3.7	2.6	5.3	32.0	3.9
	30	4.1	3.1	6.5	37.0	3.8
	40	5.2	4.9	8.2	26.5	5.5
40	5	4.8	3.3	6.1	42.0	3.1
	10	4.5	3.0	6.1	55.0	3.7
	15	3.8	2.7	5.4	48.2	3.0
	20	4.2	2.8	6.0	61.0	3.1
	30	4.6	3.5	7.0	70.0	3.1
	40	6.0	5.1	7.0	13.2	5.1
50	5	4.1	2.9	5.2	30.5	2.7
	10	3.7	2.6	5.2	45.0	3.0
	15	4.0	2.8	5.5	44.5	3.3
	20	6.0	4.1	8.0	100.0	5.3
	30	5.1	3.4	7.1	110.0	4.3
	40	6.1	6.0	9.0	54.0	6.4
60	5	4.3	3.1	5.4	26.0	3.2
	10	4.5	4.3	7.2	25.0	4.5
	15	4.8	4.5	7.1	28.0	5.2
	20	5.1	4.7	7.0	28.1	6.0
	30	5.8	5.4	8.0	38.5	6.2
	40	6.0	5.8	7.9	38.3	7.1
80	5	4.3	3.1	5.4	26.0	3.2
	10	4.5	4.3	7.2	25.0	4.5
	15	4.8	4.5	7.1	28.0	5.2
	20	5.1	4.7	7.0	28.1	6.0
	30	5.8	5.4	8.0	38.5	6.2
	40	6.0	5.8	7.9	38.3	7.1

Sphere Diameter, nm	Thickness of the Two Shells, nm	Local Field, $E$ , V/m	SERS Signal Intensity, a, u	Enhancement Coefficient $\| E / E_{0} \|^{4}$ $10^{6}$
10	5	9.3	550	0.3
	10	9.1	550
	15	9.1	520
	20	9.0	510
	30	9.3	600
	40	7.5	440	0.2
20	5	22.0	1650	0.3
	10	30.0	3100	10.0
	15	25.5	2200	5.0
	20	25.7	2300	5.1
	30	37.5	5000	25.0
	40	35.0	4300	18.5
30	5	26.0	1390	1.9
	10	30.0	1900	3.7
	15	31.0	2200	4.6
	20	32.0	2300	5.2
	30	37.0	3350	11.5
	40	26.5	2500	6.2
40	5	42.0	2100	4.6
	10	55.0	3650	13.3
	15	48.2	2700	7.2
	20	61.0	4250	18.0
	30	70.0	5100	27.0
	40	13.2	800	0.6
50	5	30.5	600	0.36
	10	38.0	1020	1.0
	15	45.5	1580	2.5
	20	100.0	3600	13.2
	30	110.0	4600	21.2
	40	54.0	2200	4.9
60	5	26.0	120	0.02
	10	25.0	430	0.2
	15	28.0	600	0.3
	20	28.1	620	0.4
	30	38.5	480	0.2
	40	38.6	490	0.3
80	5	26.0	560	0.3
	10	24.2	700	0.5
	15	53.0	3700	14.0
	20	53.0	3700	14.0
	30	38.2	1750	3.1
	40	90.0	1100	110.0

Sphere Diameter, nm	Thickness of Two Shells, nm	Excitation Wavelength, nm
		400	448	509	589	700
		Local maximum of the electric field $E$
10	5	2.8	1.9	3.6	9.3	2.3
	10	3.0	2.1	3.7	9.1	1.7
	15	3.1	2.2	3.8	9.1	1.6
	20	3.2	2.3	3.9	9.0	1.6
	30	3.3	2.5	4.2	9.3	1.5
	40	4.1	4.3	6.4	7.5	2.3
20	5	2.8	1.9	3.6	9.3	2.3
	10	3.0	2.1	3.7	9.1	1.7
	15	3.1	2.2	3.8	9.1	1.6
	20	3.2	2.3	3.9	9.0	1.6
	30	3.3	2.5	4.2	9.3	1.5
	40	4.1	4.3	6.4	7.5	2.3
30	5	3.4	2.4	5.0	26.0	3.1
	10	3.3	2.3	5.0	30.0	3.6
	15	3.5	2.5	5.2	31.0	3.8
	20	3.7	2.6	5.3	32.0	3.9
	30	4.1	3.1	6.5	37.0	3.8
	40	5.2	4.9	8.2	26.5	5.5
40	5	4.8	3.3	6.1	42.0	3.1
	10	4.5	3.0	6.1	55.0	3.7
	15	3.8	2.7	5.4	48.2	3.0
	20	4.2	2.8	6.0	61.0	3.1
	30	4.6	3.5	7.0	70.0	3.1
	40	6.0	5.1	7.0	13.2	5.1
50	5	4.1	2.9	5.2	30.5	2.7
	10	3.7	2.6	5.2	45.0	3.0
	15	4.0	2.8	5.5	44.5	3.3
	20	6.0	4.1	8.0	100.0	5.3
	30	5.1	3.4	7.1	110.0	4.3
	40	6.1	6.0	9.0	54.0	6.4
60	5	4.3	3.1	5.4	26.0	3.2
	10	4.5	4.3	7.2	25.0	4.5
	15	4.8	4.5	7.1	28.0	5.2
	20	5.1	4.7	7.0	28.1	6.0
	30	5.8	5.4	8.0	38.5	6.2
	40	6.0	5.8	7.9	38.3	7.1
80	5	4.3	3.1	5.4	26.0	3.2
	10	4.5	4.3	7.2	25.0	4.5
	15	4.8	4.5	7.1	28.0	5.2
	20	5.1	4.7	7.0	28.1	6.0
	30	5.8	5.4	8.0	38.5	6.2
	40	6.0	5.8	7.9	38.3	7.1

Sphere Diameter, nm	Thickness of the Two Shells, nm	Local Field, $E$ , V/m	SERS Signal Intensity, a, u	Enhancement Coefficient $\| E / E_{0} \|^{4}$ $10^{6}$
10	5	9.3	550	0.3
	10	9.1	550
	15	9.1	520
	20	9.0	510
	30	9.3	600
	40	7.5	440	0.2
20	5	22.0	1650	0.3
	10	30.0	3100	10.0
	15	25.5	2200	5.0
	20	25.7	2300	5.1
	30	37.5	5000	25.0
	40	35.0	4300	18.5
30	5	26.0	1390	1.9
	10	30.0	1900	3.7
	15	31.0	2200	4.6
	20	32.0	2300	5.2
	30	37.0	3350	11.5
	40	26.5	2500	6.2
40	5	42.0	2100	4.6
	10	55.0	3650	13.3
	15	48.2	2700	7.2
	20	61.0	4250	18.0
	30	70.0	5100	27.0
	40	13.2	800	0.6
50	5	30.5	600	0.36
	10	38.0	1020	1.0
	15	45.5	1580	2.5
	20	100.0	3600	13.2
	30	110.0	4600	21.2
	40	54.0	2200	4.9
60	5	26.0	120	0.02
	10	25.0	430	0.2
	15	28.0	600	0.3
	20	28.1	620	0.4
	30	38.5	480	0.2
	40	38.6	490	0.3
80	5	26.0	560	0.3
	10	24.2	700	0.5
	15	53.0	3700	14.0
	20	53.0	3700	14.0
	30	38.2	1750	3.1
	40	90.0	1100	110.0

Abstract

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Equations (16)

Journal of the Optical Society of America A