Dataset for "Nanoplastics Detected in Commercial Sea Salt"

The electric field distributions of the Au-AAO-50 membrane was simulated in Lumerical according to the geometrical measurements obtained from SEM and AFM, (Fig. 1d and Fig. 1e of the manuscript). Electric field distribution data from 1 nm above (z=534nmPlane_E-Field folder) and at the midsection of the conical tapered holes (z=551nmPlane_E-Field folder) of the SERS substrate are included in the zip folder. Also included are the setup parameters and metadata in a text file which describes the material properties fitting (as shown in the .png files) and .stl files which can be opened in any CAD software to view the simulated geometry.

Keywords:
Lumerical simulations of SERS substrates
Subjects:
Agri-environmental science
Chemical measurement
Climate and climate change
Food science and nutrition
Materials sciences
Pollution, waste and resources

Cite this dataset as:
Ruan, X., Ao, J., Jones, R., Liu, J., Xu, G., Xie, L., Li, K., Gong, K., Wang, W., Valev, V., Ji, M., Zhang, L., 2024. Dataset for "Nanoplastics Detected in Commercial Sea Salt". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01140.

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Data

Simulations … D75nm_125nmSep.zip
application/zip (31MB)
Creative Commons: Attribution 4.0

Electric field data from the top surface of the metalic layered anodised aluminium oxide substrate as simulated in Lumerical.

Creators

Xuejun Ruan
Fudan University

Jianpeng Ao
Fudan University

Robin Jones
University of Bath

Juan Liu
Fudan University

Guanjun Xu
Fudan University

Lifang Xie
Fudan University

Kejian Li
Fudan University

Kedong Gong
Fudan University

Wei Wang
Fudan University

Minbiao Ji
Fudan University

Liwu Zhang
Fudan University

Contributors

University of Bath
Rights Holder

Documentation

Data collection method:

Finite-Difference Time-Domain (FDTD) simulations were performed in Lumerical revealing the electric field distribution on the surface of the Au-AAO-50 SERS substrate. The model SERS substrate was created in Autodesk Inventor based on SEM and AFM of the surface and mapped to Lumerical for simulation. A bicentric hexagonal pattern of holes was generated with side length 500 nm and hole diameter 250 nm. The edges of the orifices were sloped forming a conical cut out based on the AFM. The result of this resembled that of an array of countersunk holes with a chamfer angle of 84° and a diameter of 345 nm at the surface. The AAO was modeled using the built in wavelength dependent material model in the Lumerical database as in refs 41, 42. A 50 nm layer of Au was superimposed onto the surface of the AAO substrate and modelled using a Johnson and Christy material model (based on ref.43) to simulate the substrates used in experiments reported here. Three other metallic layers were modelled for comparison, Ag (Palik 0 - 2 µm material model; ref. 44), Al, and Cu (both CRC material models; ref. 45). The three-dimensional domain space encompassed 2 µm × 1.732 µm of the surface (x and y directions) of the substrate and a depth of 2 µm (z direction). 3 µm of void space was placed above the substrate surface. The boundaries of the domain were periodic in the x and y direction and perfectly matched layers in the z direction which enabled the reduction of the simulation domain without compromising the validity of the simulation. The mesh resolution was approximately 2% of the hole diameter giving high fidelity results. A Bloch plane wave source with amplitude 1 V/m was introduced from 2 µm above the SERS substrate model leaving an additional (but crucial) 1 µm of space between the source and the upper boundary. The source was a Fourier transform limited pulse of light with approximately Gaussian spectral profile centered at 785 nm with a wavelength span of 300 nm. The duration of the pulse was approximately 4.2 fs. The plane wave was linearly polarised parallel to the x-axis of the FDTD domain. A frequency domain field and power monitor were placed in the x-y plane 1 nm above the surface of the SERS substrate to extract the electric field distribution on the surface of the sample.

Funders

I could be a scientist
PEF1\170015

Fellowship - Chirality in the 21st century: enantiomorphing chiral plasmonic meta/nano-materials
RGF\EA\180228

International Collaboration Awards of the RS - Clean Air
ICA\R1\201088

Natural Science Foundation of Shanghai (Shanghai Municipal Natural Science Foundation)
https://doi.org/10.13039/100007219

Grant
19ZR1471200

Ministry of Science and Technology of the People's Republic of China (MOST)
https://doi.org/10.13039/501100002855

National Natural Science Foundation of China (NSFC)
https://doi.org/10.13039/501100001809

Grant
22176036

National Natural Science Foundation of China (NSFC)
https://doi.org/10.13039/501100001809

Grant
21976030

National Natural Science Foundation of China (NSFC)
https://doi.org/10.13039/501100001809

Grant
22006020

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

UK National Quantum Technology Hub in Sensing and Timing
EP/T001046/1

Publication details

Publication date: 29 May 2024
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-01140

URL for this record: https://researchdata.bath.ac.uk/id/eprint/1140

Related papers and books

Ruan, X., Ao, J., Ma, M., Jones, R. R., Liu, J., Li, K., Ge, Q., Xu, G., Liu, Y., Wang, T., Xie, L., Wang, W., You, W., Wang, L., Valev, V. K., Ji, M., and Zhang, L., 2024. Nanoplastics Detected in Commercial Sea Salt. Environmental Science & Technology, 58(21), 9091-9101. Available from: https://doi.org/10.1021/acs.est.3c11021.

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Robin Jones

Departments:

Faculty of Science
Physics

Research Centres & Institutes
Centre for Nanoscience and Nanotechnology
Centre for Photonics and Photonic Materials