Research interests
I have extensive experience applying QC methods to investigate the electronic structures, and interactions in molecular systems. My Ph.D. research focused on the characteristics of intermolecular interactions between CO2 and functional organic compounds, aiming to predict the solubility of various organic molecules in supercritical CO2 (as a solvent) with/without H2O (as a co-solvent). I am currently working with Prof. Matteo Pelucchi on the development of semi-detailed chemical kinetic models, as well as on the automation of theoretical approaches for gas phase, gas-solid and solution phase systems of interest for the circular economy.
Experiences
- Researcher and lecturer, Duy Tan University. Dec. 2022 – Jan. 2024
- Researcher and lecturer, Molecular Modelling Laboratory GmbH (CH). May 2022 – Aug. 2022
Education
- Ph.D. in Physical and Theoretical Chemistry at Quy Nhon University. Sep. 2017 – Jul. 2022
- Bachelor Degree in Chemistry Teaching at at Quy Nhon University. Sep. 2013 – Sep. 2017
Selected Publications
- C.T. Phan Dang, D.H. Truong, T.L.A. Truong, S. Taamalli, A. El Bakali, L. Florent, D.Q. Dao. “Oxidation of metazachlor herbicide by ozone in the gas and aqueous phases: mechanistic, kinetics, and ecotoxicity studies”. Environmental Science and Pollution Research (2024). DOI: https://doi.org/10.1007/s11356-024-34453-w.
- C.T. Phan Dang, N.M. Tam, T.N. Huynh, N.T. Trung. “Revisiting conventional noncovalent interactions towards a complete understanding: from tetrel to pnicogen, chalcogen, and halogen bond”. RSC Advances (2023). DOI: http://dx.doi.org/10.1039/D3RA06078K
- C.T. Phan Dang, N.T. Trung. “Complexes of carbon dioxide with methanol and its monohalogen-substituted: Beyond the tetrel bond”. Chemical Physics Letters (2022). DOI: https://doi.org/10.1016/j.cplett.2022.140158
- C.T. Phan Dang, N.T.A. Nhung, N.T. Trung. “Growth Pattern, Stability, and Properties of Complexes of C2H5OH and nCO2 (n = 1–5) Molecules: A Theoretical Study”. ACS Omega (2020). DOI: https://doi.org/10.1021/acsomega.0c00948
- C.T. Phan Dang, V.T. Ngan, N.T. Trung. “A predictive physico-chemical model of biochar oxidation”. Energy & Fuels (2021).DOI: https://doi.org/10.1016/j.chemphys.2019.110580
