A Simulation-Based Study of a Black Phosphorus-Based Complex Multilayer SPR-Based Optical Sensor for Wastewater Monitoring

Abstract

The increasing global threat of water pollution demands advanced multilayer sensing technologies with efficacy to detect contaminants with high sensitivity and adaptability in complex aquatic environments. In this theoretical analysis, we investigated a novel multilayer surface plasmon resonance (SPR) system as an optical sensing platform to detect water pollutants and salinity concentrations. The proposed sensor comprised silver, barium borate (BBO), and black phosphorus (BP) layers on a Borokon 7 (BK7) prism, which formed a tunable and highly responsive configuration under the Kretschmann geometry. It employed the transfer matrix method (TMM) and angular interrogation in the visible regime to evaluate reflectance spectra and key sensing parameters. The outcomes revealed that the sensor exhibited high sensitivity and selectivity for refractive index (RI) variations corresponding to polluted water samples, including sodium chloride (NaCl) concentrations. The system exhibited strong plasmonic coupling and interfacial interactions, yielding the maximum sensitivity (138.7°/RIU) and figure of merit (73.57 RIU⁻¹) toward water samples with 4% NaCl and chemical contamination, respectively. At refractive index of 1.33 and 1.34, by varying the layers of BBO and BP, the maximum sensitivity achieved was 320°/RIU with six BBO layers and a monolayer of BP. These results demonstrated that the proposed SPR sensor configuration, which successfully differentiated between various water quality levels based on refractive index variations, had tremendous potential for next-generation real-time water quality monitoring.

Keywords

black phosphorus / Kretschmann configuration / sensor / surface plasmon resonance / transfer matrix / water pollution

References

[1] S. Dey, K. Sen, N. C. Saha, and S. Saha, “Analytical Approaches for Quantifying and Characterizing Microplastics: Environmental Impacts and Bioaccumulation in Aquatic Systems,” Green Analytical Chemistry 12 (2025): 100191, https://doi.org/10.1016/j.greeac.2024.100191.

[2] M. Herrera-Domínguez, G. Morales-Luna, J. Mahlknecht, Q. Cheng, I. Aguilar-Hernández, and N. Ornelas-Soto, “Optical Biosensors and Their Applications for the Detection of Water Pollutants,” Biosensors 13, no. 3 (March 2023): 370, https://doi.org/10.3390/bios13030370.

[3] B. Zong, S. Wu, Y. Yang, Q. Li, T. Tao, and S. Mao, “Smart Gas Sensors: Recent Developments and Future Prospective,” Nano-Micro Letters 17, no. 1 (2024): 54, https://doi.org/10.1007/s40820-024-01543-w.

[4] C. Lino, S. Barrias, R. Chaves, F. Adega, P. Martins-Lopes, and J. R. Fernandes, “Biosensors as Diagnostic Tools in Clinical Applications,” Biochimica et Biophysica Acta, Reviews on Cancer 1877, no. 3 (2022): 188726, https://doi.org/10.1016/j.bbcan.2022.188726.

[5] A. Goel, A. Rastogi, S. Pandey, S. Kulshrestha, and S. Goel, “An Emergent Biotechnology Hierarchy: Biosensors,” Materials Today Proceedings (2023), https://doi.org/10.1016/j.matpr.2023.03.363.

[6] M. Ghaani, M. Azimzadeh, D. Büyüktaş, D. Carullo, and S. Farris, “Electrochemical Sensors in the Food Sector: A Review,” Journal of Agricultural and Food Chemistry 72, no. 44 (November 2024): 24170–24190, https://doi.org/10.1021/acs.jafc.4c09423.

[7] S. Li, A. Simonian, and B. A. Chin, “Sensors for Agriculture and the Food Industry,” Electrochemical Society Interface 19, no. 4 (2010): 41–46, https://doi.org/10.1149/2.F05104if.

[8] C. C. Adley, “Past, Present and Future of Sensors in Food Production,” Foods 3, no. 3 (2014): 491–510, https://doi.org/10.3390/foods3030491.

[9] V. Naresh and N. Lee, “A Review on Biosensors and Recent Development of Nanostructured Materials-Enabled Biosensors,” Sensors 21, no. 4 (2021): 1–35, https://doi.org/10.3390/s21041109.

[10] A. Uniyal, G. Srivastava, A. Pal, S. Taya, and A. Muduli, “Recent Advances in Optical Biosensors for Sensing Applications: A Review,” Plasmonics 18, no. 2 (2023): 735–750, https://doi.org/10.1007/s11468-023-01803-2.

[11] A. Uniyal, G. Srivastava, P. Sarkar, et al., “Fluorinated Graphene and CNT-Based Surface Plasmon Resonance Sensor for Detecting the Viral Particles of SARS-CoV-2,” Physica B: Condensed Matter 669, no. August (2023): 415282, https://doi.org/10.1016/j.physb.2023.415282.

[12] S. Upadhyay, A. Kumar, M. Srivastava, et al., “Recent Advancements of Smartphone-Based Sensing Technology for Diagnosis, Food Safety Analysis, and Environmental Monitoring,” Talanta 275 (2024): 126080, https://doi.org/10.1016/j.talanta.2024.126080.

[13] R. D’Antuono, “Basic Digital Image Acquisition, Design, Processing, Analysis, Management, and Presentation,” in Principles of Light Microscopy: From Basic to Advanced, ed. V. Nechyporuk-Zloy (Springer International Publishing, 2022), 77–104, https://doi.org/10.1007/978-3-031-04477-9_4.

[14] V. Doǧan, T. Isık, V. Kılıç, and N. Horzum, “A Field-Deployable Water Quality Monitoring With Machine Learning-Based Smartphone Colorimetry,” Analytical Methods 14, no. 35 (2022): 3458–3466, https://doi.org/10.1039/D2AY00785A.

[15] A. Roda, M. Zangheri, D. Calabria, et al., “A Simple Smartphone-Based Thermochemiluminescent Immunosensor for Valproic Acid Detection Using 1,2-Dioxetane Analogue-Doped Nanoparticles as a Label,” Sensors and Actuators B: Chemical 279 (2019): 327–333, https://doi.org/10.1016/j.snb.2018.10.012.

[16] B. Freund and W. O. Tatum, “Pitfalls Using Smartphones Videos in Diagnosing Functional Seizures,” Epilepsy & Behavior Reports 16 (2021): 100497, https://doi.org/10.1016/j.ebr.2021.100497.

[17] J. C. Ramirez, D. Grajales García, J. Maldonado, and A. Fernández-Gavela, “Current Trends in Photonic Biosensors: Advances Towards Multiplexed Integration,” Chemosensors 10, no. 10 (2022): 398, https://doi.org/10.3390/chemosensors10100398.

[18] S. Akgönüllü and A. Denizli, “Recent Advances in Optical Biosensing Approaches for Biomarkers Detection,” Biosensors and Bioelectronics: X 12 (2022): 100269, https://doi.org/10.1016/j.biosx.2022.100269.

[19] B. Karki, A. Pal, A. Uniyal, P. Jassal, and A. Sinha, “Design and Optimization of a Novel SPR Sensor for Detecting Cancerous Cells: A Simulation-Based Study,” Plasmonics 20, no. 8 (2025): 1–9, https://doi.org/10.1007/s11468-025-03057-6.

[20] G. Ansari, A. Pal, A. K. Srivastava, and G. Verma, “Bi-Metallic, Ferric Oxide, and Carbon Nanotube-Assisted SPR Sensor for Cancer Detection,” Journal of Materials Research 39, no. 14 (2024): 1–12, https://doi.org/10.1557/s43578-024-01358-w.

[21] G. Ansari, A. Pal, A. K. Srivastava, and G. Verma, “Detection of Hemoglobin Concentration in Human Blood Samples Using a Zinc Oxide Nanowire and Graphene Layer Heterostructure Based Refractive Index Biosensor,” Optics and Laser Technology 164, no. April (2023): 109495, https://doi.org/10.1016/j.optlastec.2023.109495.

[22] H. S. Gumaih, A. H. M. Almawgani, M. G. Daher, Y. S. Adam, S. A. Taya, and Y. K. Prajapati, “Novel Detection of Progesterone and Estradiol Levels in Blood Using Sensitive SPR Biosensor Employing Cerium Oxide and Mxene Nanomaterial,” Journal of Optics (2024): 1–11, https://doi.org/10.1007/s12596-024-02352-5.

[23] A. R. H. Alhawari, A. H. M. Almawgani, S. A. Taya, M. G. Daher, Y. K. Prajapati, and H. S. Gumaih, “Highly Sensitive Protein Sensor Based on Surface Plasmon Resonance Nanostructure Employing Titanium Dioxide and Graphene Layers,” Diamond and Related Materials 151 (2025): 111867, https://doi.org/10.1016/j.diamond.2024.111867.

[24] G. V Naik, V. M. Shalaev, and A. Boltasseva, “Alternative Plasmonic Materials: Beyond Gold and Silver,” Advances in Materials 25, no. 24 (June 2013): 3264–3294, https://doi.org/10.1002/adma.201205076.

[25] E. Mauriz, A. Calle, J. J. Manclús, A. Montoya, and L. M. Lechuga, “Multi-Analyte SPR Immunoassays for Environmental Biosensing of Pesticides,” Analytical and Bioanalytical Chemistry 387, no. 4 (2007): 1449–1458, https://doi.org/10.1007/s00216-006-0800-z.

[26] B. P. Nanda, P. Rani, P. Paul, S. S. Ganti, and R. Bhatia, “Recent Trends and Impact of Localized Surface Plasmon Resonance (LSPR) and Surface-Enhanced Raman Spectroscopy (SERS) in Modern Analysis,” Journal of Pharmaceutical Analysis 14, no. 11 (2024): 100959, https://doi.org/10.1016/j.jpha.2024.02.013.

[27] M. P. Mcoyi, K. T. Mpofu, M. Sekhwama, and P. Mthunzi-Kufa, “Developments in Localized Surface Plasmon Resonance,” Plasmonics 20, no. 7 (2025): 5481–5520, https://doi.org/10.1007/s11468-024-02620-x.

[28] R.-C. Twu and B.-L. Lin, “Development and Investigation of Birefringent Beta-Barium Borate for Optical Angle Sensor,” Optics and Laser Technology 155 (2022): 108369, https://doi.org/10.1016/j.optlastec.2022.108369.

[29] R.-C. Twu and Y.-R. Sun, “Fabrication of Beta-Barium Borate Sensing Head for Non-Invasive Measurement of Fluidic Concentration Variations,” Sensors 22, no. 24 (2022): 9566, https://doi.org/10.3390/s22249566.

[30] G. W. Day, P. D. Hale, and M. N. Deeter, “Limits to the Precision of Electro-Optic and Magneto-Optic Sensors,” NASA STI/Recon Technical Report, no. 1307 (1987), https://doi.org/10.6028/NBS.TN.1307.

[31] N. Mudgal, A. Saharia, A. Agarwal, J. Ali, P. Yupapin, and G. Singh, “Modeling of Highly Sensitive Surface Plasmon Resonance (SPR) Sensor for Urine Glucose Detection,” Optical and Quantum Electronics 52, no. 6 (2020): 1–14, https://doi.org/10.1007/s11082-020-02427-0.

[32] A. S. Kushwaha, A. Kumar, R. Kumar, and S. K. Srivastava, “A Study of Surface Plasmon Resonance (SPR) Based Biosensor With Improved Sensitivity,” Photonics and Nanostructures: Fundamentals and Applications 31, no. June (2018): 99–106, https://doi.org/10.1016/j.photonics.2018.06.003.

[33] B. Ruan, Q. You, J. Zhu, et al., “Improving the Performance of an SPR Biosensor Using Long-Range Surface Plasmon of ga-Doped Zinc Oxide,” Sensors 18, no. 7 (2018): 2098, https://doi.org/10.3390/s18072098.

[34] S. Malik, J. Singh, R. Goyat, et al., “Nanomaterials-Based Biosensor and Their Applications: A Review,” Heliyon 9, no. 9 (2023): e19929, https://doi.org/10.1016/j.heliyon.2023.e19929.

[35] Q. Ouyang, S. Zeng, L. Jiang, et al., “Two-Dimensional Transition Metal Dichalcogenide Enhanced phase-sensitive Plasmonic Biosensors: Theoretical Insight,” Journal of Physical Chemistry C 121, no. 11 (2017): 6282–6289, https://doi.org/10.1021/acs.jpcc.6b12858.

[36] A. Srivastava and Y. K. Prajapati, “Performance Analysis of Silicon and Blue Phosphorene/MoS₂ Hetero-Structure Based SPR Sensor,” Photonic Sensors 9, no. 3 (2019): 284–292, https://doi.org/10.1007/s13320-019-0533-1.

[37] X. Zhao, T. Huang, P. S. Ping, et al., “Sensitivity Enhancement in Surface Plasmon Resonance Biochemical Sensor Based on Transition Metal Dichalcogenides/Graphene Heterostructure,” Sensors 18, no. 7 (2018): 2056, https://doi.org/10.3390/s18072056.

[38] S. J. Kim, H. J. Koh, C. E. Ren, et al., “Metallic Ti₃C₂T_x Mxene Gas Sensors With Ultrahigh Signal-to-Noise Ratio,” ACS Nano 12, no. 2 (February 2018): 986–993, https://doi.org/10.1021/acsnano.7b07460.

[39] L. Wu, Q. You, Y. Shan, et al., “Few-Layer Ti₃C₂T_x Mxene: A Promising Surface Plasmon Resonance Biosensing Material to Enhance the Sensitivity,” Sensors and Actuators B: Chemical 277 (2018): 210–215, https://doi.org/10.1016/j.snb.2018.08.154.

[40] X. Jiang, A. V. Kuklin, A. Baev, et al., “Two-Dimensional Mxenes: From Morphological to Optical, Electric, and Magnetic Properties and Applications,” Physics Reports 848 (2020): 1–58, https://doi.org/10.1016/j.physrep.2019.12.006.

[41] M. N. Polyanskiy, “Refractiveindex.Info Database of Optical Constants,” Scientific Data 11, no. 1 (2024): 94, https://doi.org/10.1038/s41597-023-02898-2.

[42] J. Homola, S. S. Yee, and G. Gauglitz, “Surface Plasmon Resonance Sensors: Review,” Sensors and Actuators B: Chemical 54, no. 1 (1999): 3–15, https://doi.org/10.1016/S0925-4005(98)00321-9.

[43] G. Ansari, R. Oweis, L. Baldaniya, et al., “Early Detection of Chikungunya Virus Using Silver and Zinc Selenide Multilayer Structure Utilizing the Surface Plasmon Resonance: A Numerical Approach,” Plasmonics 20, no. 10 (2025): 1–12, https://doi.org/10.1007/s11468-025-02978-6.

[44] R. Kumar, S. Pal, N. Pal, A. Verma, and Y. K. Prajapati, “MXene-Graphene-MXene–Mediated Heterostructure-Based Surface Plasmon Resonance Sensor for the Detection of Leptospirosis Bacteria in Rodent Urine,” Plasmonics 19, no. 6 (2024): 3323–3333, https://doi.org/10.1007/s11468-024-02246-z.

[45] V. Yesudasu, R. Srivastava, S. Pal, A. Verma, and Y. K. Prajapati, “Performance Enhancement of Spr Sensor for Dengue Virus Detection: Influence of Aluminum Nitride and 2D Materials,” Plasmonics 20, no. 6 (2025): 3973–3986, https://doi.org/10.1007/s11468-024-02574-0.

[46] H. S. Gumaih, A. H. M. Almawgani, M. G. Daher, Y. S. Adam, S. A. Taya, and Y. K. Prajapati, “Theoretical Optimization of Silver-Based Surface Plasmon Resonance Sensor With Perovskite and Graphene Composite Structure for the Rapid Detection of Breast Cancer Cells,” Plasmonics 20 (2025): 1–9, https://doi.org/10.1007/s11468-024-02753-z.

[47] B. Karki, A. Uniyal, B. Chauhan, and A. Pal, “Sensitivity Enhancement of a Graphene, Zinc Sulfide-Based Surface Plasmon Resonance Biosensor With an Ag Metal Configuration in the Visible Region,” Journal of Computational Electronics 21, no. January (2022): 445–452, https://doi.org/10.1007/s10825-022-01854-4.

[48] V. Kumar, N. Kumar, S. Pal, B. Goyal, A. K. Sharma, and Y. K. Prajapati, “Highly Sensitive and Accurate Cortisol Sensor Based on Long-Range Surface Plasmon Resonance,” IEEE Sensors Journal 25, no. 10 (2025): 17324–17331, https://doi.org/10.1109/jsen.2025.3555704.

[49] A. Uniyal, M. Kumar, R. Kumar, et al., “Silver, Silicon, and Selenium-Based Surface Plasmon Resonance Sensor for Pathogen Bacteria Detection in Visible Region,” Optical and Quantum Electronics 57, no. 3 (2025): 196, https://doi.org/10.1007/s11082-025-08118-y.

[50] M. G. Daher, S. A. Taya, O. S. Faragallah, S. K. Patel, Y. K. Prajapati, and A. Armghan, “Detection of Protozoa in Drinking Water Using SPR Biosensor Employing Titanium Dioxide and Mxene Nanomaterial,” Journal of Computational Electronics 24, no. 2 (2025): 45, https://doi.org/10.1007/s10825-025-02280-y.

[51] J. S. Tamang, R. S. Dhar, A. Uniyal, and A. K. Bhoi, “A Numerical Method for Developing an N-Plasmonic Sensor for Biological Sensing Applications,” Journal of Optics (2025): 1–10, https://doi.org/10.1007/s12596-025-02571-4.

[52] R. Srivastava, V. Kumar, S. Tyagi, S. Pal, A. K. Sharma, and Y. K. Prajapati, “On the Feasibility of Particle Swarm Optimization Method for Inverse Design of High-Performance SPR Biosensor,” IEEE Sensors Journal 24, no. 10 (2024): 16242–16249, https://doi.org/10.1109/jsen.2024.3381250.

[53] R. Kumar, S. Pal, A. Verma, and Y. K. Prajapati, “Enhanced No₂ Gas Sensing Using Surface Plasmon Resonance Sensor Based on Mxene and Black Phosphorus,” IEEE Transactions on Plasma Science 51, no. 6 (2023): 1427–1433, https://doi.org/10.1109/TPS.2023.3276371.

[54] A. Uniyal, G. Ansari, K. Kumba, B. Karki, and A. Pal, “An Optimized Design of SPR Sensor With TiSi₂/MXene/CNT Multilayer Structures: A TMM Reflectance Study Using Angle Interrogation for Haemoglobin Detection,” in Metaheuristics-Based Materials Optimization, ed. V. Silberschmidt, H. Singh, S. Rajput, and A. Sharma (Woodhead Publishing, 2025), 433–454, https://doi.org/10.1016/B978-0-443-29162-3.00017-4.

[55] J. S. Tamang, S. Chatterjee, and R. S. Dhar, “Defects Detection in Dentistry: Designing a Graphene Multi-Layered Based Plasmonic Sensor,” Physica Scripta 98, no. 6 (2023): 65605, https://doi.org/10.1088/1402-4896/acd4f7.

[56] M. U. Zaman, A. Uniyal, N. R. Alqhtani, et al., “Plasmonic Sensing of Human Teeth: A Molybdenum Ditelluride-Black Phosphorus-Based Surface Plasmon Resonance Approach,” Plasmonics (2025): 1–13, https://doi.org/10.1007/s11468-025-03248-1.

[57] A. H. M. Almawgani, A. Uniyal, P. Sarkar, et al., “Creatinine Detection by Surface Plasmon Resonance Sensor Using Layers of Cerium Oxide and Graphene Over Conventional Kretschmann Configuration,” Plasmonics 18, no. 5 (2023): 1743–1752, https://doi.org/10.1007/s11468-023-01891-0.

[58] M. Mishra, S. Senapati, A. Yadav, and S. K. Tripathy, “BaTiO₃ Boosted Silver-Based Spr Sensor for Efficient Urine-Glucose Detection in Pre-Diabetic and Early-Diabetic Stages,” Sensors and Actuators A: Physical 379 (2024): 115895, https://doi.org/10.1016/j.sna.2024.115895.

[59] S. Agarwal, Y. K. Prajapati, and J. B. Maurya, “Effect of Metallic Adhesion Layer Thickness on Surface Roughness for Sensing Application,” IEEE Photonics Technology Letter 28, no. 21 (2016): 2415–2418, https://doi.org/10.1109/LPT.2016.2597856.

[60] X. Zhang and W. Zhang, “Synthesis of Black Phosphorus and Its Applications,” Materials Today Physics 43 (2024): 101396, https://doi.org/10.1016/j.mtphys.2024.101396.

[61] F. A. Sayed, H. A. Elsayed, M. Al-Dossari, M. F. Eissa, A. Mehaney, and A. H. Aly, “Angular Surface Plasmon Resonance-Based Sensor With a Silver Nanocomposite Layer for Effective Water Pollution Detection,” Scientific Reports 13, no. 1 (2023): 21793, https://doi.org/10.1038/s41598-023-48837-4.

[62] Q. Ouyang, S. Zeng, L. Jiang, et al., “Sensitivity Enhancement of Transition Metal Dichalcogenides/Silicon Nanostructure-Based Surface Plasmon Resonance Biosensor,” Scientific Reports 6, no. March (2016): 1–13, https://doi.org/10.1038/srep28190.

[63] A. S. Kushwaha, A. Kumar, R. Kumar, and S. K. Srivastava, “A Study of Surface Plasmon Resonance (SPR) Based Biosensor With Improved Sensitivity,” Photonics and Nanostructures: Fundamentals and Applications 31 (2018): 99–106, https://doi.org/10.1016/j.photonics.2018.06.003.

[64] Z. Lin, L. Jiang, L. Wu, et al., “Tuning and Sensitivity Enhancement of Surface Plasmon Resonance Biosensor With Graphene Covered Au-MoS₂-Au Films,” IEEE Photonics Journal 8, no. 6 (2016): 1–8, https://doi.org/10.1109/JPHOT.2016.2631407.

[65] M. M. Rahman, M. M. Rana, M. S. Rahman, M. S. Anower, M. A. Mollah, and A. K. Paul, “Sensitivity Enhancement of SPR Biosensors Employing Heterostructure of PtSe₂ and 2D Materials,” Optical Materials 107, no. April (2020): 110123, https://doi.org/10.1016/j.optmat.2020.110123.

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2025 The Author(s). Electron published by Harbin Institute of Technology and John Wiley & Sons Australia, Ltd.