Papers in Journals
- 21. M. Shakourian , Fard , H. Heydari , G. Kamath,Defect based modulation of opto‐electronic properties for bio‐functionalized hexagonal boron nitride nanosheets,ChemPhysChem,2017.
- 22. M. Shakourian , Fard , G. Kamath,The Effect of Defect Types on the Electronic and Optical Properties of Graphene Nanoflakes Physisorbed by Ionic Liquids,Phys. Chem. Chem. Phys.,2017.
- 23. M. Shakourian et al.,The effect of ionic liquid adsorption on the electronic and optical properties of fluorographene nanosheets,J. Mol. Liq.,2018.
- 24. H.R. Ghenaatian , M. Shakourian , Fard , G. Kamath,The effect of sulfur and nitrogen/sulfur co-doping in graphene surface on the adsorption of toxic heavy metals (Cd, Hg, Pb),J Mater Sci,2019.
- 25. Tailoring of graphene quantum dots for toxic heavy metals detection,Applied Physics A,2019.
- 26. Calcium-Ion Batteries: Identifying Ideal Electrolytes for Next-Generation Energy Storage Using Computational Analysis,J. Phys. Chem. C,2019.
- 27. B. Borhani , M. Mohsennia , M. Shakourian , Fard,Structural and electronic properties of adsorbed nucleobases on Si-doped hexagonal boron nitride nanoflake: a computational study,Struct. Chem.,2019.
- 28. M. Shakourian , Fard , H.R. Ghenaatian , Morteza Golmohammadi,،Theoretical study on the nature and strength of interaction of methylated DNA nucleobases with ionic liquids،Nashrieh Shimi va Mohandesi Shimi Iran،۲۰۲۲.
- 29. Unraveling the effect of nitrogen doping on graphene nanoflakes and the adsorption properties of ionic liquids: A DFT study,J. Mol. Liq.,2020.
- 30. H.R. Ghenaatian , M. Shakourian , Fard , G. Kamath,Adsorption mechanism of toxic heavy metal ions on oxygen-passivated nanopores in graphene nanoflakes,J Mater Sci,2020.
- 31. H. R. Ghenaatian , M. Shakourian , Fard , G. Kamath,Interaction of Cun, Agn and Aun (n = 1-4) nanoparticles with ChCl:Urea deep eutectic solvent,J. Mol. Graph. Model.,2021.
- 32. A. Khajeh , M. Shakourian , Fard,Chemical structure based models for prediction of deep eutectic solvents densities,J. Mol. Liq.,2021.
- 33. A. Khajeh , K. Parvaneh , M. Shakourian , Fard,Refractive index prediction of deep eutectic solvents by molecular approaches,J. Mol. Liq.,2021.
- 34. M. Shakourian et al.,A DFT study of the adsorption of deep eutectic solvents onto graphene and defective graphene nanoflakes,J. Mol. Liq.,2021.
- 35. A. Khajeh , M. Shakourian , Fard , K. Parvaneh,Quantitative structure-property relationship for melting and freezing points of deep eutectic solvents,J. Mol. Liq.,2021.
- 36. M. Shakourian et al.,Density functional theory investigation into the interaction of deep eutectic solvents with amino acids,J. Mol. Liq.,2021.
- 37. Effect of mono-vacant defects on the adsorption properties of deep eutectic solvents onto hexagonal boron-nitride nanoflakes,J. Mol. Liq.,2022.
- 38. H.R. Ghenaatian et al.,The interaction of deep eutectic solvents with pristine carbon nanotubes and their associated defects: A density functional theory study,J. Mol. Liq.,2022.
- 39. DFT study of interaction of Palladium Pdn (n = 1-6) nanoparticles with deep eutectic solvents,J. Mol. Graph. Model,2022.
- 40. F.S. Mjalli et al.,Experimental and theoretical study of the physicochemical properties of the novel imidazole-based eutectic solvent,J. Mol. Graph. Model.,pp. 108319,2023.
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