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Al-Mahayni, H., Wang, X., Harvey, J.-P., Patience, G. S., & Seifitokaldani, A. (2021). Experimental methods in chemical engineering: Density functional theory—DFT. Canadian Journal of Chemical Engineering, 99(9), 1885-1911. External link
Gheribi, A. E., Seifitokaldani, A., Wu, P., & Chartrand, P. (2015). An ab initio method for the prediction of the lattice thermal transport properties of oxide systems: Case study of Li₂O and K₂O. Journal of Applied Physics, 118(14), 145101 (5 pages). External link
Seifitokaldani, A., Gheribi, A. E., Phan, A. T., Chartrand, P., & Dollé, M. (2016). Important variation in vibrational properties of LiFePO4 and FePO4 induced by magnetism. Scientific Reports, 6(1), 1-10. Available
Seifitokaldani, A., Gheribi, A. E., & Dollé, M. (2016). On the limitation of density functional theory (DFT) for the treatment of the anharmonicity in FCC metals. Solid State Communications, 247, 78-81. External link
Seifitokaldani, A., Gheribi, A. E., Dollé, M., & Chartrand, P. Thermophysical Properties of LiFePO4: DFT+U Computations Combined with a Thermodynamically Self-Consistent (TSC) Method [Abstract]. 229th ECS Meeting, San Diego, CA, USA. Published in ECS Meeting Abstracts, MA2016-01(4). External link
Seifitokaldani, A., Gheribi, A. E., Dolle, M., & Chartrand, P. (2016). Thermophysical properties of titanium and vanadium nitrides: Thermodynamically self-consistent approach coupled with density functional theory. Journal of Alloys and Compounds, 662, 240-251. External link
Seifitokaldani, A., Oishi, K., Perrier, M., & Savadogo, O. (2015). Electrochemical and physicochemical properties of titanium Oxy-nitride electrocatalyst prepared by sol-gel methods for the oxygen reduction reaction purposes. Journal of Solid State Electrochemistry, 19(10), 3097-3109. External link
Seifitokaldani, A., & Gheribi, A. E. (2015). Thermodynamically self-consistent method to predict thermophysical properties of ionic oxides. Computational Materials Science, 108(Part A.), 17-26. External link
Seifitokaldani, A. (2014). Oxygen Reduction Reaction (ORR) on Mixed Oxy-Nitride Non-Noble Catalyst: AB-Initio Simulation, Elaboration and Characterization [Ph.D. thesis, École Polytechnique de Montréal]. Available
Seifitokaldani, A., Perrier, M., & Savadogo, O. (2013). Electrochemical Stability Investigation of TiOxNy electro-Catalyst Produced By in-Situ Urea-Based Sol-Gel Method for PEM Fuel Cell Application. Meeting abstracts, MA2013-02(15), 1560-1560. External link
Talebi-Esfandarani, M., Rousselot, S., Jin, L., Bibienne, T., Gauthier, M., Chartrand, P., Sauriol, P., Seifitokaldani, A., & Dollé, M. (2016). On the Versatility of Melt-Synthesis of LiFePO4 cathode Material. Meeting abstracts, MA2016-03(2), 1022-1022. External link
Talebi-Esfandarani, M., Rousselot, S., Jin, L., Bibienne, T., Chartrand, P., Sauriol, P., Seifitokaldani, A., & Dollé, M. (2016). Melt Synthesis of LiFePO4: Fundamentals, Versatility and Application. Meeting abstracts, MA2016-02(3), 503-503. External link
