Dr. Francis Opoku


Dept: Chemistry
Department of Chemistry

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Research Areas/Interests

My research interests focused on the design of novel two-dimensional materials with applications in water splitting, photodegradation of organic pollu...~more



    1. F. Opoku, A. Aniagyei, O. Akoto, E.E. Kwaansa-Ansah, N.K. Asare-Donkor, A.A. Adimado, Investigation of 2D Janus Al2OS/Ga2SSe van der Waals heterojunction as next-generation thermoelectric and photocatalytic devices. Next Materials, 1 (2023) 100042.
    2. E.S. Agorku, A. Kangmennaa, M. Haruna, F. Opoku, Photocatalytic activity of red emission PVA-GdVO4:Eu3+ nanocomposite towards the degradation of Eosin Y in water. Sustainable Environment, 9 (2023) 2266632.
    3. M. Haruna, J. Kwakye, E.S. Agorku, F. Opoku, N.K. Asare-Donkor, A.A. Adimado, La–doped ZnO–rGO nanocomposites: Synthesis and characterization as photocatalyst for effective degradation of bromothymol blue dye in water. Results in Materials, 19 (2023) 100449.
    4. T.L. Yusuf, S.A. Ogundare, F. Opoku, O.A. Arotiba, N. Mabuba, Theoretical and experimental insight into the construction of FTO/NiSe2/BiVO4 photoanode towards an efficient charge separation for the degradation of pharmaceuticals in water. Journal of Environmental Chemical Engineering, 11 (2023) 110711.
    5. F. Opoku, O. Akoto, E.E. Kwaansa-Ansah, N.K. Asare-Donkor, A.A. Adimado, Role of BaTiO3 crystal surfaces on the electronic properties, charge separation and visible light–response of the most active (001) surface of LaAlO3: A hybrid density functional study. Chemical Physics Impact, 6 (2023) 100236.
    6. P.J. Mafa, M.E. Malefane, F. Opoku, B.B. Mamba, A.T. Kuvarega, Visible light responsive MoS2/Ag@WO3/EG photoanode with highly stable Z-scheme induced circular electron motion pioneered by Exfoliated graphite for bisphenol a photoelectrodegradation. Chemical Engineering Journal, 464 (2023) 142462
    7. T.Y. Arhin, A. Jonathan, F. Opoku, M.A. Tandoh, E.A. Amankwah, O. Akoto, Exposure and health risk assessment of transition metals in rice found on the Ghanaian market. Environmental Monitoring and Assessment, 195 (2023) 587
    8. A. Jonathan, F. Opoku, O. Akoto, Health Risk Assessment, Bioaccumulation Factors and Ecological Indices of Heavy Metals in Sediment, Fish and Water Along Asuoyeboah River, Kumasi: A Case Study. Chemistry Africa, 6 (2023) 1103-1115.
    9. F. Opoku, O. Akoto, E.E. Kwaansa-Ansah, N.K. Asare-Donkor, A.A. Adimado, Rational design of 2D/2D CS/SiC van der Waals type-II heterojunctions: a visible-light-driven photocatalyst for hydrogen production. Materials Advances, 4 (2023) 1949-1963.
    10. M.A. Nkansah, M. Korankye, G. Darko, M. Dodd, F. Opoku, Potential health risk and bio-accessibility of metal and minerals in saltpetre (a food additive). Heliyon, 9 (2023).
    11. T.L. Yusuf, S.A. Ogundare, F. Opoku, N. Mabuba, Photoelectrocatalytic degradation of sulfamethoxazole over S–Scheme Co3Se4/BiVO4 heterojunction photoanode: An experimental and density functional theory investigations. Surfaces and Interfaces, 36 (2023) 102534.
    12. M. Asantewah Nkansah, F. Opoku, E. Yigah, Exploring the potential of waste fish scales as feed for livestock. Chemija (2022) 33.
    13. D. A. Abaye, A. Aniagyei, D. Adedia, B. V. Nielsen, F. Opoku, A DFT Study on the Polarizability of Di-substituted Arene (o-, m-, p-) Molecules used as Supercharging Reagents during Electrospray Ionization Mass Spectrometry. Mass Spectrometry Letters, 13(3) (2022) 49-57.
    14. O. Akoto, A. Samuel, L. Gladys, O. A. A. Sarah, J. Apau, F. Opoku. Assessment of groundwater quality from some hostels around Kwame Nkrumah University of Science and Technology. Scientific African, 17 (2022) e01361.
    15. F. Opoku, A. Aniagyei, O. Akoto, E.E. Kwaansa-Ansah, N.K. Asare-Donkor, A.A. Adimado, Effect of van der Waals stacking in CdS monolayer on enhancing the hydrogen production efficiency of SiH monolayer, Materials Advances, 3 (2022) 4629-4640.
    16. F. Opoku, S. Osei-Bonsu Oppong, A. Aniagyei, O. Akoto, A.A. Adimado, Boosting the photocatalytic H2 evolution activity of type-II g-GaN/Sc2CO2 van der Waals heterostructure using applied biaxial strain and external electric field. RSC Advances 12 (2022) 7391-7402.
    17. F. Opoku, S.O.-B. Oppong, N.K. Asare-Donkor, O. Akoto, A.A. Adimado, Enhancing the photocatalytic hydrogen generation performance and strain regulation of the vertical GeI2/C2N van der Waals heterostructure: insights from first-principles study. Energy Advances 1 (2022) 146-158.
    18. M.A. Nkansah, E.A. Agyei, F. Opoku. Mineral and proximate composition of the meat and shell of three snail species. Heliyon, 7 (2021) e08149.
    19. M.A. Nkansah, P.-I. Agorsor, F. Opoku, Heavy metal contamination and health risk assessment of mechanically milled delicacy called fufu. International Journal of Food Contamination. 8 (2021) 6.
    20. F. Opoku, O. Akoto, S.O.-B. Oppong, A.A. Adimado. Two-dimensional layered type-II MS2/BiOCl (M = Zr, Hf) van der Waals heterostructures: promising photocatalysts for hydrogen generation. New Journal of Chemistry 45 (2021) 20365-20373.
    21. F. Opoku, P.P. Govender. 2 - Prospective of functionalized nanomaterials in environmental science: A nanotechnological approach, in: C.M. Hussain, S.K. Shukla, G.M. Joshi (Eds.) Functionalized Nanomaterials Based Devices for Environmental Applications, Elsevier 2021, pp. 13-60.
    22. P.P. Govender, F. Opoku, O.O. Wahab, E.M. Kiarii (2021). Molecular Modelling of Vitamin B12 and Its Analogues (1st edition). Jenny Stanford Publishing: New York https://doi.org/10.1201/9781003213390
    23. O. Akoto, A. Adopler, H.E., Tepkor, F. Opoku. A comprehensive evaluation of surface water quality and potential health risk assessments of Sisa river, Kumasi. Groundwater for Sustainable Development 15 (2021) 100654.
    24. A. Sadrnia, Y. Orooji, A. Behmaneshfar, R. Darabi, D. Maghsoudlou Kamali, H. Karimi-Maleh, F. Opoku, P.P. Govender. Developing a simple box–behnken experimental design on the removal of doxorubicin anticancer drug using Fe3O4/graphene nanoribbons adsorbent. Environmental Research 200 (2021) 111522.
    25. F. Opoku, O. Akoto, N.K. Asare-Donkor, A.A. Adimado. Defect-engineered two-dimensional layered gallium sulphide molecular gas sensors with ultrahigh selectivity and sensitivity. Applied Surface Science 562 (2021) 150188.
    26. F. Opoku, P.P. Govender. SF6 decomposed gas sensing performance of van der Waals layered cobalt oxyhydroxide: insights from a computational study. Journal of Molecular Modeling 27 (2021) 158.
    27. Gusain, N. Kumar, F. Opoku, P.P. Govender, S.S. Ray. MoS2 Nanosheet/ZnS Composites for the Visible-Light-Assisted Photocatalytic Degradation of Oxytetracycline. ACS Applied Nano Materials 4 (2021) 4721-4734.
    28. O.-B. Oppong, F. Opoku, W.W. Anku, P.P. Govender. Insights into the complementary behaviour of Gd doping in GO/Gd/ZnO composites as an efficient candidate towards photocatalytic degradation of indigo carmine dye. Journal of Materials Science 56 (2021) 8511-8527.
    29. O. Osikoya, F. Opoku and P.P. Govender. Electrochemical detection of amoxicillin on 2D graphene-gold nanoparticle nanointerface: Combined experimental and theoretical study. Chemical Physics Letters 764 (2021) 138278.
    30. Keyvanfard, H. Karimi-Maleh, F. Karimi, F. Opoku, E.M. Kiarii, P.P. Govender, M. Taghavi, L. Fu, A. Aygun, F. Sen. Electro-catalytic amplified sensor for determination of N-acetylcysteine in the presence of theophylline confirmed by experimental coupled theoretical investigation, Scientific Reports 11 (2021) 1-14.
    31. E. Tsoeu, F. Opoku, P.P. Govender. Exploring the optical, structural and electronic properties of a two-dimensional GaSe/C2N van der Waals heterostructure as a photovoltaic cell: A computational investigation. Journal of Electronic Materials 50 (2021) 620-628.
    32. Kumari, A.O. Osikoya, F. Opoku, W.W. Anku, S.K. Shukla, P.P. Govender, Composite 2D Nanointerfaces for Electrochemical Biosensing: An Experimental and Theoretical Study. ACS Applied Bio Materials 3 (2020) 8676-8687.
    33. F. Opoku, P.P. Govender. Atomistic insight into the significantly enhanced photovoltaic cells of monolayer GaTe2 via two-dimensional van der Waals heterostructures engineering. Physical Sciences Reviews, DOI doi:10.1515/psr-2019-0127 (2020).
    34. O.-B. Oppong, F. Opoku, P.P. Govender. Remarkable Enhancement of Eu–TiO2–GO Composite for Photodegradation of Indigo Carmine: A Design Method Based on Computational and Experimental Perspectives. Catalysis Letters DOI: 10.1007/s10562-020-03386-7(2020).
    35. F. Opoku, P.P. Govender. Two-dimensional CoOOH as a Highly Sensitive and Selective H2S, HCN and HF Gas Sensor: A Computational Investigation. Electroanalysis 32 (2020) 2764-2774.
    36. F. Opoku, P.P. Govender. Computational screening of vdWs heterostructures of BSe with MoSe2 and WSe2 as sustainable hydrogen production materials. Current Applied Physics DOI: https://doi.org/10.1016/j.cap.2020.06.001 (2020).
    37. F. Opoku, P.P. Govender. Adsorption behaviour of Si anchored on g-C3N4/graphene van der Waals heterostructure for selective sensing of toxic gases: Insights from a first-principles study. Applied Surface Science 525 (2020) 146590.
    38. Fouladgar, H. Karimi-Maleh, F. Opoku and P. P. Govender. Electrochemical anticancer drug sensor for determination of raloxifene in the presence of tamoxifen using graphene-CuO-polypyrrole nanocomposite structure modified pencil graphite electrode; Theoretical and experimental investigation. Journal of Molecular Liquids 311 (2020) 113314.
    39. Karimi-Maleh, M. Shafieizadeh, M. A. Taher, F. Opoku, E. M. Kiarii, P. P. Govender, S. Ranjbari, M. Rezapour and Y. Orooji. The Role of Magnetite/Graphene Oxide Nano-Composite as a High-Efficiency Adsorbent for Removal of Phenazopyridine Residues from Water Samples, an Experimental/Theoretical Investigation. Journal of Molecular Liquids 298 (2020) 112040.
    40. F. Opoku and P.P. Govender. Highly Selective and Sensitive Detection of Formaldehyde by β12-Borophene/SnO2 Heterostructures: The Role of an External Electric Field and In-Plain Biaxial Strain. The Journal of Physical Chemistry A 124 (2020) 2288-2300.
    41. E. Tsoeu, F. Opoku and P.P. Govender. Tuning the electronic, optical and structural properties of GaS/C2N van der Waals heterostructure for photovoltaic application: first-principle calculations. SN Applied Sciences 2 (2020) 1-11.
    42. F. Opoku, E. M. Kiarii and P.P. Govender. Nanotechnology for Water and Wastewater Treatment Using Graphene Semiconductor Composite Materials. In Environmental Nanotechnology Volume 4, Dasgupta, N.; Ranjan, S.; Lichtfouse, E., Eds. Springer International Publishing: Cham, 2020; pp 1-34.
    43. F. Opoku, A. O. Osikoya, E.D. Dikio and P.P. Govender. One-Step Synthesized 2D Heteroatom Doped Graphene for High Throughput Electrochemical Biosensing: A Combined Experimental and Computational Studies. Diamond and Related Materials 100 (2019) 107592.
    44. F. Opoku, P.P. Govender, O. J. Pooe and M. B. C. Simelane. Evaluating Iso-Mukaadial Acetate and Ursolic Acid Acetate as Plasmodium Falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase Inhibitors. Biomolecules 9 (2019) 861.
    45. O.–B. Oppong, F. Opoku, E.M. Kiarii, W.W. Anku and P.P. Govender. Computational and experimental design of highly active Ce–ZrO2–GO photocatalyst for eosin yellow dye degradation: The role of interface and Ce3+ ion. Catalysis Letters 11 (2019) 1633–1650.
    46. O. Osikoya, F. Opoku, E.D. Dikio and P.P. Govender. High–throughput 2D Heteroatom Graphene Bioelectronic Nanosculpture: A combined Experimental and Theoretical study. ACS Applied Materials & Interfaces 11 (2019) 11238–11250.
    47. Kumari, F. Opoku, A.O. Osikoya, W.W. Anku, S.K. Shukla and P.P. Govender. Hierarchically assembled two–dimensional goldboron nitride–tungsten disulphide nanohybrid interface system for electrobiocatalytic applications. Materials Chemistry and Physics 226 (2019) 129–140.
    48. F. Opoku and P.P. Govender. Tuning the electronic properties and interfacial interactions of WS2/ZrO2(001) heterostructures by an external electric field, interlayer coupling and monolayer to few–layer of WS2 sheets. Materials Chemistry and Physics 224 (2019) 107–116.
    49. O.–B. Oppong, F. Opoku and P.P. Govender. Tuning the electronic and structural properties of Gd–TiO2–GO nanocomposites for enhancing photodegradation of IC dye: The role of Gd3+ ion. Applied Catalysis B: Environmental 243 (2019) 106–120.
    50. K. Boateng, F. Opoku, O. Akoto. Heavy metal contamination assessment of groundwater quality: a case study of Oti landfill site, Kumasi. Applied Water Science 9 (2019) 1–18.
    51. E. Kwaansa-Ansah, E.K. Armah, F. Opoku. Assessment of Total Mercury in Hair, Urine and Fingernails of Small–Scale Gold Miners in the Amansie West District, Ghana. Journal of Health and Pollution 9 (2019) 190306.
    52. E. Kwaansa–Ansah, S.O. Nti, F. Opoku. Heavy metals concentration and human health risk assessment in seven commercial fish species from Asafo Market, Ghana. Food Science and Biotechnology 28 (2019) 569–579.
    53. O.–B. Oppong, W.W. Anku, F. Opoku, S.K. Shukla and P.P. Govender. Photodegradation of eosin yellow dye in water under simulated solar light irradiation using La–doped ZnO nanostructure decorated on graphene oxide as an advanced photocatalyst. ChemistrySelect 3 (2018) 1180–1188.
    54. F. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Hybrid DFT study of MWCNT/Zr–doped SrTiO3 heterostructure: Hydrogen production, electronic properties and charge Carrier mediator role of Zr4+ ion. International Journal of Hydrogen Energy 43 (2018) 22253–22264.
    55. F. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Tuning the electronic structures, work functions, optical property and stability of bifunctional hybrid graphene oxide/V–doped NaNbO3 type–II heterostructures: A promising photocatalyst for H2 production. Carbon 136 (2018) 187–195.
    56. F. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Charge transport, interfacial interactions and synergistic mechanism in BiNbO4/MWO4 (M = Zn and Cd) heterostructures for hydrogen production: insights from a DFT + U study. Physical Chemistry Chemical Physics 19 (2018) 28401–28413.
    57. A. Nkansah, E. Owusu–Afriyie, F. Opoku. Determination of lead and cadmium contents in lipstick and their potential health risks to consumers. Journal of Consumer Protection and Food Safety 13 (2018) 367–373.
    58. K. Boateng, F. Opoku, O. Akoto. Quality of leachate from the Oti Landfill Site and its effects on groundwater: a case history. Environmental Earth Sciences 77 (2018) 1–14.
    59. F. Opoku, E.M. Kiarii, P.P. Govender and M.A. Mamo. Metal Oxide Polymer Nanocomposites in Water Treatments. In: Descriptive Inorganic Chemistry Researches of Metal Compounds. IntechOpen, London, UK (2017) 173–199.
    60. F. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Understanding the synergistic effects, optical and electronic properties of ternary Fe/C/S–doped TiO2 anatase within the DFT + U approach. International Journal of Quantum Chemistry (2017) 118, 1–17.
    61. F. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Role of MoS2 and WS2 monolayers on the photocatalytic hydrogen production and pollutant degradation of monoclinic BiVO4: a first–principles study. New Journal of Chemistry (2017) 41, 11701–11713.
    62. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Enhancing photocatalytic activity for hydrogen production and pollutant degradation by modifying tetragonal ZrO2 with monolayers of BiVO4, Ag3PO4, SrTiO3 and WO3: A first–principles study. Computational Materials Science 138 (2017) 462–473.
    63. F. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Insights into the photocatalytic mechanism of mediator–free direct Z–scheme g–C3N4/Bi2MoO6(010) and g–C3N4/Bi2WO6(010) heterostructures: A hybrid density functional theory study. Applied Surface Science 427, Part B (2018) 487–498.
    64. F. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Enhancing Charge Separation and Photocatalytic Activity of Cubic SrTiO3 with Perovskite?Type Materials MTaO3 (M = Na, K) for Environmental Remediation: A First?Principles Study. ChemistrySelect 2 (2017) 6304–6316.
    65. F. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Recent Progress in the Development of Semiconductor–Based Photocatalyst Materials for Applications in Photocatalytic Water Splitting and Degradation of Pollutants. Advanced Sustainable Systems 1 (2017) 1–24.
    66. F. Opoku, K.K. Govender, C.G.C.E. van Sittert and P.P. Govender. Understanding the mechanism of enhanced charge separation and visible light photocatalytic activity of modified wurtzite ZnO with nanoclusters of ZnS and graphene oxide: from a hybrid density functional study. New Journal of Chemistry 41 (2017) 8140–8155.
    67. A. Nkansah, G. Darko, M. Dodd, F. Opoku, T. Bentum Essuman, J. Antwi-Boasiako. Assessment of pollution levels, potential ecological risk and human health risk of heavy metals/metalloids in dust around fuel filling stations from the Kumasi Metropolis, Ghana. Cogent Environmental Science 3 (2017) 1412153.
    68. E. Kwaansa-Ansah, L.P. Amenorfe, E.K. Armah, F. Opoku. Human health risk assessment of cyanide levels in water and tuber crops from Kenyasi, a mining community in the Brong Ahafo Region of Ghana. International Journal of Food Contamination 4 (2017) 16.
    69. A. Nkansah, F. Opoku, J. H. Ephraim, D. D. Wemegah and L. P. Tetteh. Characterization of beauty salon wastewater from Kwame Nkrumah University of Science and Technology, Kumasi, Ghana, and its surrounding communities. Environmental Health Insights 10 (2016) 147–154.
    70. A. Nkansah, F. Opoku, A.A. Ackumey. Risk assessment of mineral and heavy metal content of selected tea products from the Ghanaian market. Environmental Monitoring and Assessment 188 (2016) 1–11.
    71. S. Agorku, E.E. Kwaansa–Ansah, R.B. Voegborlo, P. Amegbletor, F. Opoku. Mercury and hydroquinone content of skin toning creams and cosmetic soaps, and the potential risks to the health of Ghanaian women. SpringerPlus 5 (2016) 1–5.
    72. K. Boateng, F. Opoku, S.O. Acquaah, O. Akoto. Groundwater quality assessment using statistical approach and water quality index in Ejisu–Juaben Municipality, Ghana. Environmental Earth Sciences 75 (2016) 1–14.
    73. F. Opoku, N.K. Asare–Donkor, A.A. Adimado. A comprehensive understanding of the chemical vapour deposition of cadmium chalcogenides using Cd[(C6H5)2PSSe]2 single–source precursor: a density functional theory approach. Chemistry Central Journal 10 (2016) 1–14.
    74. K. Boateng, F. Opoku, S.O. Acquaah, O. Akoto. Pollution evaluation, sources and risk assessment of heavy metals in hand–dug wells from Ejisu–Juaben Municipality, Ghana. Environmental Systems Research 4 (2015) 1–12.
    75. K. Asare–Donkor, E.E. Kwaansa–Ansah, F. Opoku, A.A. Adimado. Concentrations, hydrochemistry and risk evaluation of selected heavy metals along the Jimi River and its tributaries at Obuasi a mining enclave in Ghana. Environmental Systems Research 4 (2015) 1–14.
    76. F. Opoku, N.K. Asare–Donkor, A.A. Adimado. Quantum mechanical study of the kinetics, mechanisms and thermodynamics of the gas–phase decomposition of Pb[(iPr)2PSSe]2 single–source precursor. Journal of Organometallic Chemistry 787 (2015) 33–43.
    77. F. Opoku, N.K. Asare–Donkor, A.A. Adimado. Thermal decomposition of Zn[(C6H5)2PSSe]2 single–source precursor for the chemical vapour deposition of binary and ternary zinc chalcogenides: a theoretical study. SpringerPlus 4 (2015) 1–13.
    78. Opoku, N.K. Asare–Donkor, A.A. Adimado. Theoretical studies of the decomposition of Zn[(iPr)2PSSe]2 single–source precursor in the gas phase for the chemical vapour deposition of binary and ternary zinc chalcogenides. Computational and Theoretical Chemistry 1058 (2015) 1–11.
    79. F. Opoku, N.K. Asare–Donkor, A.A. Adimado. Theoretical study of the gas–phase decomposition of Pb[(C6H5)2PSSe]2 single–source precursor for the chemical vapour deposition of binary and ternary lead chalcogenides. Canadian Journal of Chemistry 93 (2014) 317–325.
    80. F. Opoku, N.K. Asare–Donkor, A.A. Adimado. Density functional theory (DFT) study of the gas–phase decomposition of the Cd[(iPr)2PSSe]2 single–source precursor for the CVD of binary and ternary cadmium chalcogenides. Journal of molecular modeling 20 (2014) 1–14.



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