Hassane LGAZ, PhD, MRSC

Associate Professor of Chemistry | Hanyang University ERICA, South Korea


Curriculum vitae



Center for Creative Convergence Education; Innovative Durable Building and Infrastructure Research Center

Hanyang University



Computational insights into the adsorption mechanisms of anionic dyes on the rutile TiO2 (1 1 0) surface: Combining SCC-DFT tight binding with quantum chemical and molecular dynamics simulations


Journal article


Otheman Amrhar, Han-Seung Lee, Hassane Lgaz, Avni Berisha, Eno E. Ebenso, Youngjae Cho
Journal of Molecular Liquids, vol. 377, 2023


Cite

Cite

APA   Click to copy
Amrhar, O., Lee, H.-S., Lgaz, H., Berisha, A., Ebenso, E. E., & Cho, Y. (2023). Computational insights into the adsorption mechanisms of anionic dyes on the rutile TiO2 (1 1 0) surface: Combining SCC-DFT tight binding with quantum chemical and molecular dynamics simulations. Journal of Molecular Liquids, 377. https://doi.org/10.1016/j.molliq.2023.121554


Chicago/Turabian   Click to copy
Amrhar, Otheman, Han-Seung Lee, Hassane Lgaz, Avni Berisha, Eno E. Ebenso, and Youngjae Cho. “Computational Insights into the Adsorption Mechanisms of Anionic Dyes on the Rutile TiO2 (1 1 0) Surface: Combining SCC-DFT Tight Binding with Quantum Chemical and Molecular Dynamics Simulations.” Journal of Molecular Liquids 377 (2023).


MLA   Click to copy
Amrhar, Otheman, et al. “Computational Insights into the Adsorption Mechanisms of Anionic Dyes on the Rutile TiO2 (1 1 0) Surface: Combining SCC-DFT Tight Binding with Quantum Chemical and Molecular Dynamics Simulations.” Journal of Molecular Liquids, vol. 377, 2023, doi:10.1016/j.molliq.2023.121554.


BibTeX   Click to copy

@article{amrhar2023a,
  title = {Computational insights into the adsorption mechanisms of anionic dyes on the rutile TiO2 (1 1 0) surface: Combining SCC-DFT tight binding with quantum chemical and molecular dynamics simulations},
  year = {2023},
  journal = {Journal of Molecular Liquids},
  volume = {377},
  doi = {10.1016/j.molliq.2023.121554},
  author = {Amrhar, Otheman and Lee, Han-Seung and Lgaz, Hassane and Berisha, Avni and Ebenso, Eno E. and Cho, Youngjae}
}



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