Dr. Ephraim Muriithi Kiari Publications

Publications

1. Thabo Matthews, Dr. Tarekegn H. Dolla, Siyabonga P. Mbokazi, Makhaokane P. Chabalala, Dr. Julia Gallenberger, Prof. Jan P. Hofmann, Kiarii E. Muriithi, Prof. Penny P. Govender, Prof. Nobanathi W. Maxakato Pd/fMC NiO Synergistic, Promotional Effect and Cooperation Induced Electrocatalysis towards Ethylene Glycol Electrooxidation: Experimental Approach and DFT Calculations https://doi.org/10.1002/celc.202300564 2024
2. Mahalingam, S., Muriithi Kiarii, E., Thiruppathiraja, T., Murugesan, A., Lakshmipathi, S., Makhanya, T. R., & Gengan, R. M. (2023). Microwave Hantzsch Synthesis of Quinolinyl-Dihydropyridines Supported by Cs-BNT Catalyst and DFT Investigations. Polycyclic Aromatic Compounds, 1–27. https://doi.org/10.1080/10406638.2023.2265025 2023
3. Mohsen Keyvanfard, Hassan Karimi‑Maleh, Fatemeh Karimi, Francis Opoku , Ephraim Muriithi Kiarii, Poomani Penny Govender, Mehdi Taghavi, Li Fu, Aysenur Aygun & Fatih Sen  2021. Electro‑catalytic amplified sensor for determination of N‑acetylcysteine in the presence of theophylline confirmed by experimental coupled theoretical investigation Nature Scientific Reports -January 2021 https://doi.org/10.1038/s41598-020-79872-0
4. Kiarii, E.M., Govender, K.K., Mamo A.M. and Govender, P.P. 2020. A DFT study of Two- Dimensional CdS/TiS2 on Isotropic Chalcogenide AgSbTe2 Thermoelectric Material - Electronic Charge Transfer and Optical Properties Current Applied Physics - July 2020.  https://doi.org/10.1016/j.cap.2020.06.004
5. Hassan K.-M., Marjan S., Mohammad A. T., Francis O., Kiarii E.M., Poomani P. G., Sara R., Morteza R, Yasin O, 2020.   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 pp.112040 https://doi.org/10.1016/j.molliq.2019.112040
6. Kiarii, E.M., Govender, K.K. and Govender, P.P., 2019. A theoretical study of 2D AlN on 3D C4H6N6Ni2 clathrate thermoelectric material composites SN Applied Sciences pp. 1:1638.   https://doi.org/10.1007/s42452-019-1696-5 
7. Oppong, S.O.B., Opoku, F., Anku, W.W., Kiarii, E.M. and Govender, P.P., 2019. Experimental and Computational Design of Highly Active Ce –ZrO2–GO Photocatalyst for Eosin Yellow Dye Degradation: The Role of Interface and Ce 3+ Ion. Catalysis Letters, pp.1-8.  https://doi.org/10.1007/s10562-019-02729-3
8. Kiarii, E.M., Govender, K.K., Messai A.M.  and Govender, P.P., 2019.  The effects of two- dimensional TiSe2 on the thermoelectric, electronic and optical response of Yb14MnSb11/AlSb9Yb11 Heterostructures - A theoretical study Journal of Molecular Graphics a nd Modelling, 86 pp. 179-191  https://doi.org/10.1016/j.jmgm.2018.10.019
9. Kiarii, E.M., Govender, K.K., Messai A.M. and Govender, P.P., 2018. A first-principles study of half-Heusler Intermetallic Compound MgAgAs with Composite 2D-TiC/2D- Mo2 T iC Ma t e ria l Theoretical Chemistry Accounts, 214, 2337 pp. 15 https://link.springer.com/article/10.1007/s00214-018-2337-6
10. Ngigi, E.M., Kiarii, E.M., Nomngongo, P.N. and Ngila, C.J., 2018. Application of Z–Scheme C dS-WO3   Nanocomposite for Photodegradation of Ethylparaben under Irradiation with Visible Light: A Combined Experimental and Theoretical Study ChemistrySelect, 3, 34 pp. 9845-985611. Kiarii, E.M., Govender, K.K., Messai A.M. and Govender, P.P., 2018. DFT Study of Skutt erudit e CoSb3 and In0.2Co4Sb12 Thermoelectric Heterostructures with 2D–WSe2 ChemistrySelect, 3, 3 2 pp. 9336-9347 https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/slct.201802136  
11. Kiarii, E.M., Govender, K.K., Ndungu, P.G. and Govender, P.P., 2018. The gene rat ion of charge carriers in semiconductors–A theoretical study Chemical Physics Letters, 678, pp. 167-176 http://dx.doi.org/10.1016/j.cplett.2017.04.051
12. Kiarii, E.M., Govender, K.K., Ndungu, P.G. and Govender, P.P., 2017. A DFT study on the effect of supporting Titania on silica graphene epoxy graphene and carbon nanotubes - Interfacial properties and optical response. Computational Condensed Matter 13, pp. 6-15 https://doi.org/10.1016/j.cocom.2017.08.003
13. Kiarii, E.M., Govender, K.K., Ndungu, P.G. and Govender, P.P., 2017. Simulation from the first principal theory on the effect of supporting silica on graphene and the new composite material. Chemical Physics Letters, 680, pp.69-77. https://doi.org/10.1016/j.cplett.2017.05.034

Review articles

1. Kiarii, E.M., Govender, K.K., Ndungu, P.G. and Govender, P.P., 2018.  Recent Advances in Titanium Dioxide/Graphene Photocatalyst Materials as potentials of Energy Generation Bulletin of Materials Science, 41, 3 pp. 75 https://doi.org/10.1007s12034-018-1593-3
   

Books Published
1. Molecular Modelling of Vitamin B12 and Its Analogues https://scholar.google.com/citationsview_op=view_citation&hl=en&user=6jtHiVsAAAAJ&citation_f  or view=6jtHiVsAAAAJ:_kc_bZDykSQC

Book chapters

1. Carbon nanotube as catalyst support in wet air oxidation of water treatment, In Micro and Nano Technologies, Water Treatment Using Engineered Carbon Nanotubes, Elsevier, 2024, Pages 413-432, ISBN 9780443185243 
2. Nanotechnology for water and wastewater treatment using graphene semiconductor composite materials https://link.springer.com/chapter/10.1007/978-3-030-26668-4_1 2020 
3. Photocatalytic Degradation of Pharmaceuticals Using Graphene Based Materials https://link.springer.com/chapter/10.1007/978-3-319-75484-0_7 2018 
4. Metal oxide polymer nanocomposites in water treatments info:hcxgjbZSaAJ:scholar.google.com 2018

Conferences Presented

1. Kiarii, E.M., Govender, K.K., Mamo A.M. and Govender, P.P., 2019. Theoretical study of Traditional Thermoelectric/2D Hetero-Thermoelectric Materials for Efficient Heat Energy Conversion (oral presentation). Three Minute Thesis presentation, Nadine Gordimer auditorium, 5th Floor, University of Johannesburg, APK Library, South Africa on 5th September
   2019.
2. Govender, K.K.,   Kiarii, E.M., Mamo A.M.  and Govender, P.P., 2019.  DFT Study of Skutterudite CoSb3    and In0.2Co4Sb12    Thermoelectric Heterostructures with 2D–WSe2 (Poster presentation).  International Conference on Advances in Functional Materials in U C LA (AAAFM-UCLA) at the University of California, Los Angeles, USA from 19th  – 22nd  August 2019
3. Kiarii, E.M., Govender, K.K., Mamo A.M. and Govender, P.P., 2019. The Effects of Two– dimensional TiSe2 on the Thermoelectric, Electronic and Optical Response of Yb14MnSb11/AlSb9Yb11 Heterostructures – A Theoretical Study (Poster presentation).  Frank Warren Organic Chemistry Conference held at Drakensberg, South Africa from 7th – 11th July.
4. Kiarii, E.M., P. G. Ndungu, K.K. Govender & P.P. Govender (2017). Simulation from the first-principles calculation on the effect of supporting silica on graphene and the new composite material (Oral presentation and Poster presentation). SAC I in or ga nic a nd C a rm an physical chemistry Symposium, Arabella hotel and Spa Hermanus, Western cape South Africa 25th - 29th June 2017.
5. P.P. Govender, Kiarii, E.M., P. G. Ndungu, K.K. Govender & (2017). Supporting titania on silica, graphene, epoxy graphene and carbon nanotubes:  A first-principles study (Oral presentation).  9th World Congress on Materials Science and Engineering & Engineering, at Rome, Italy 12th- 14th June 2017.
6. Kiarii, E.M., P. G. Ndungu, K.K. Govender & P.P. Govender (2016). Simulation from the first Principles on the effect of supporting titania on silica, graphene, epoxy graphene and carbon nanotubes and the layers:  interfacial properties and optical response.  (Poster presentation). CHPC 2016 National Meeting, East London, South Africa 5th - 9th December 2016.
7. Kiarii, E.M., P.  G.  Ndungu, K. K.  Govender & P.P.  Govender (2016).  First principles simulations on the effect of supporting titania on silica, graphene, epoxy graphene and carbon nanotubes (Oral presentation).  The 6th   University of Johannesburg cross faculty postgraduate symposium South Africa, 14th October 2016