Journal papers

1. Guji. K. W.*, Geleta, T. A.*, Bouri, N., Rehman, Zia ur. First-Principles Investigation of Bandgap Engineering and Stability of LiBeZ (Z = P, As) Half-Heusler Alloys for Optoelectronic and Thermoelectric Applications. Sci. Rep. 2025, 15, 33162. https://doi.org/10.1038/s41598-025-14470-6

2. JI, J-M1, Geleta, T. A1, Shih, Y-h*, and Tee, Q. R. Chlorine-doped graphitic carbon nitride for enhanced photocatalytic degradation of reactive Black 5: Mechanistic and DFT insights toward water remediation. ACS Omega, 2025 ,10, 39861−39874. https://doi.org/10.1021/acsomega.5c04017

3. Chang, M.; Geleta, T. A.; Chen, H-Jh.; Shih, Y-h*. Rapid Tris(1,3-dichloropropyl) Phosphate Degradation and Detoxification via TiO2 Nanoparticles under UV Light: Kinetics and Mechanism, Environmental Implications, and Insights into DFT. ACS Agric. Sci. Technol. 2025.

4. Bouri, N.; Geleta, T.A*.; Guji, K.W.; Hammad, A.; Rabhi, S.; Nouneh, Kh.Resistance dynamics in a solar cell with novel lead-free perovskite absorbers (LiMgI3 and NaMgI3): Performance optimization using SCAPS-1D simulation and impedance spectroscopy Journal of Physics and Chemistry of Solids, 2025, 112972. https://doi.org/10.1016/j.jpcs.2025.112972

5. Geleta, T. A.;  Tee, Q. R.; Shih, Y-h, Chen, W-L.Exploring Charge Transfer and Degradation Mechanism of One-Step Synthesized Modified g-C3N4 for Efficient Photocatalytic Bisphenol A Removal Under Visible Light. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2025, 136990

6. Hammad, A.*; Geleta, T. A.*; Ali, M.; and Bouri. N..Exploring Zr-based perovskite hydrides XZrH3 (X: Na/Cs) for hydrogen storage applications: Insights from first-principles DFT calculations. Int. J. Hydrogen Energy. 2025. (IF = 8.1)

7. Bouri, N.; Talbi, A.; Makha, M.; Bouich, A.; A.; Geleta, T. A.; Nouneh, K.; CH3NH3Pb1− xCuxI3-based solar cell: numerical study and optimization with different inorganic hole transport layers. Chemical Physics Impact, 2025, 100873.

8. Huang, Sh-E.; Tan, K-H.; Sahu, R.Sh.; Geleta, T.A.; Miri, A.; Lin, Ch-y.; Shih, Y-h.; and Chen, W-L. Facile Synthesis and Optimization of Graphitic Carbon Nitride Nanoparticles to Effectively Photodegrade Tetracycline Under Visible Light in Water. ACS Agricultural Science & Technology. 2025

9. Bouri, N.; Diyagh, H.; Lemnawar, A.; Rabhi, S.; Talbi, A.; Rmili, A.; Geleta, T.A.; Amraoui, S.; Makha, M.; Khalid Nouneh, K. Comparative study of solar cells based on triple and graded absorber layers with the compound CsSn1-xGexI3: Numerical study and optimization. Journal of Physics and Chemistry of Solids. 199 (2025) 112561

10. Elomari, A.; Bouri, N.; Salhi, Y.;  Bouich, A.; Dassalem,  S.; Geleta, T.A.*;  Erramli, H.; Makha, M.; Fazouan,  N.;  Nouneh, K. Electrodeposition of AgCuO2 thin films as hole transporter for inverted Perovskite solar cell in ammonia-citrate medium.  Opt. Mater. 2024

11. Yeamin, M. Al.; Hosen, A.; Hossain, M.A.; Abdulhussein, H.A.; Pingak, R.K.; Joifullah, S.; Hassan, W.H. Abu-Jafar, M.S.; Geleta, T.A. Surf. Interfaces, 2024, 105559.

12. Guji, K.W; Geleta, T.A.*; Bouri, N.; Rivera, V.J.R. First-principles study on the structural stability, mechanical stability and optoelectronic properties of alkali-based single halide perovskite compounds XMgI 3 (X= Li/Na): DFT insight. Nanoscale Adv. 2024.

13. BOURI, N.; Geleta, T.A.*; Guji, K.W.; Behera, D.; Nouneh, K. Numerical analysis of photovoltaic

performance in NaSnCl3 and KSnCl3 perovskite absorber layers for solar energy harvesting: SCAPS-1D study. Mater. Today Commun. 2024.

14. Geleta, T.A.*, D. Behera, N. Bouri, V. J. R. Rivera, F. M. Gonzalo; First principles insight into the study of the structural, stability,and optoelectronic properties of alkali-based single halide perovskite ZSnCl 3 (Z = Na/K) materials for … materials for photovoltaic applications. J Comput Chem., 2024

15. Guji, K.W, Wang, F.M, Chien, W.C, Geleta, T.A, Effects of Cation Substitution Effects of Dicarboxylic Acid for Energy Storage Applications, Electrochimica Acta, 144604

16. Geleta, T.A.*, Comparative Analysis of Polyol-Synthesized ZnO Nanoparticles through First Principles Calculations and Experimental Characterization, Mater. Today Commun., 2024

17. Behera, D.; Geleta, T.A.; I Allaoui, Mohamed Khuili, Sanat Kumar Mukherjee, Boumaza Akila, Samah Al-Qaisi First-principle analysis of optical and thermoelectric properties in alkaline-based perovskite compounds AInCl3 (A = K, Rb) The European Physical Journal Plus, 139, 2024

18. Geleta, T.A.; Behera, D.; Sharma, R.*; Al-Anazy, M.M.; Yousef, El.S; Srivastava, V.*; Moayad, A.J A.*, Exploring the mechanical, vibrational optoelectronic and thermoelectric properties of novel Half Heusler FeTaX (X = P, As): A First-Principles Study, RSC Adv., 2024

19. Behera, D.; Akila, B.; Mukherjee, S.K.; Geleta, T.A.; Shaker, A.; and Salah, M.M., Studies on Optoelectronic and Transport Properties of XSnBr3 (X = Rb/Cs): A DFT Insight. Crystals 2023, 13, 1437. https://doi.org/10.3390/ cryst13101437.
20. Venault, A1, Geleta, T.A, Chiu, T-Y, Lin H-T, Maggay, I.V, Chang, Y. A copolymer derivative of poly(4-vinylpyridine propylsulfobetaine) for the design of thermostable bioinert poly(vinylidene difluoride) microporous membranes by vapor-induced phase separation. Sep. Purif. Technol. 2023 325, 124686. https://doi.org/10.1016/j.seppur.2023.124686.
21. Maggay, I.V; Lin, H-P; Geleta, T.A; Chang, Y; Huang, Y-T; Venault. A. 3 stage filtration system utilizing 3 distinct membranes derived from one single dope solution and finely-tuned phase inversion processes. Sep. Purif. Technol. 2023, 311, 123275. https://doi.org/10.1016/j.seppur.2023.123275.
22. Geleta T. A.; Maggay, I.V.; Chang, Y.; and Venault A. Recent Advances on the Fabrication of Antifouling Phase-Inversion Membranes by In-Situ Modification. Membranes 2023, 13(1), 58. https://doi.org/10.3390/membranes13010058.
23. Venault, A.; Zhou, R-J; Galeta, T. A.; Chang, Y. Engineering sterilization-resistant and fouling-resistant porous membranes by the vapor-induced phase separation process using a sulfobetaine methacrylamide amphiphilic derivative. J. Membr. Sci. 2022, 658, 120760. https://doi.org/10.1016/j.memsci.2022.120760.
24. Venault, A.; Aini, H. N.; Galeta, T. A.; Chang, Y. Using the dimethyl sulfoxide green solvent for the making of antifouling PEGylated membranes by the vapor-induced phase separation process. JMS Letters 2022, 2, 100025. https://doi.org/10.1016/j.memlet.2022.100025.
25. Geleta, T. A.; Imae, T. Nanocomposite Photoanodes Consisting of p-NiO/n-ZnO Heterojunction and Carbon Quantum Dot Additive for Dye-Sensitized Solar Cells. ACS Appl. Nano Mater. 2021, 4, 236. https://doi.org/10.1021/acsanm.0c02547.
26. Chang, C. C.; Geleta, T. A.; Imae, T. Effect of Carbon Dots on Supercapacitor Performance of Carbon Nanohorn/Conducting Polymer Composites. Bull. Chem. Soc. Jpn. 2021, 94, 454–462. https://doi.org/10.1246/bcsj.20200269.
27. Geleta, T. A.; Imae, T. Influence of Additives on Zinc Oxide-Based Dye-Sensitized Solar Cells. Bull. Chem. Soc. Jpn. 2020, 93 (4), 611-620. https://doi.org/10.1246/bcsj.20200001.