Adsorption of O3, SO2 and SO3 gas molecules on MoS2 monolayers: a computational investigation A Abbasi, JJ Sardroodi Applied Surface Science 469, 781-791, 2019 | 173 | 2019 |
Investigation of the adsorption of ozone molecules on TiO2/WSe2 nanocomposites by DFT computations: Applications to gas sensor devices A Abbasi, JJ Sardroodi Applied Surface Science 436, 27-41, 2018 | 111 | 2018 |
N-doped TiO2 anatase nanoparticles as a highly sensitive gas sensor for NO2 detection: insights from DFT computations A Abbasi, J Jahanbin Sardrood Environmental Science: Nano, 2016 | 97 | 2016 |
The adsorption of sulfur trioxide and ozone molecules on stanene nanosheets investigated by DFT: Applications to gas sensor devices A Abbasi, JJ Sardroodi Physica E: Low-dimensional Systems and Nanostructures 108, 382-390, 2019 | 87 | 2019 |
An innovative gas sensor system designed from a sensitive nanostructured ZnO for the selective detection of SO x molecules: a density functional theory study A Abbasi, JJ Sardroodi New Journal of Chemistry 41 (21), 12569-12580, 2017 | 77 | 2017 |
Exploration of sensing of nitrogen dioxide and ozone molecules using novel TiO2/Stanene heterostructures employing DFT calculations A Abbasi, JJ Sardroodi Applied Surface Science 442, 368-381, 2018 | 60 | 2018 |
Electronic structure tuning of stanene monolayers from DFT calculations: Effects of substitutional elemental doping A Abbasi, JJ Sardroodi Applied Surface Science 456, 290-301, 2018 | 48 | 2018 |
Adsorption of CO and NO molecules on Al, P and Si embedded MoS2 nanosheets investigated by DFT calculations A Abbasi, A Abdelrasoul, JJ Sardroodi Adsorption 25, 1001-1017, 2019 | 46 | 2019 |
Structural and electronic properties of group-IV tin nanotubes and their effects on the adsorption of SO2 molecules: insights from DFT computations A Abbasi, J Jahanbin Sardroodi Journal of Applied Physics 124 (16), 2018 | 44 | 2018 |
Density functional theory investigation of the interactions between the buckled stanene nanosheet and XO2 gases (X= N, S, C) A Abbasi, JJ Sardroodi Computational and Theoretical Chemistry 1125, 15-28, 2018 | 43 | 2018 |
Modified N-doped TiO2 anatase nanoparticle as an ideal O3 gas sensor: insights from density functional theory calculations A Abbasi, JJ Sardroodi Computational and Theoretical Chemistry 1095, 15-28, 2016 | 43 | 2016 |
Measurement and correlation of osmotic coefficients and evaluation of vapor pressures for solutions of CaCl2 and Ca (NO3) 2 in ethanol at 298 K MT Zafarani-Moattar, J Jahanbin-Sardroodi Fluid phase equilibria 172 (2), 221-235, 2000 | 43 | 2000 |
Insights into the interactions and dynamics of a DES formed by phenyl propionic acid and choline chloride P Jahanbakhsh Bonab, A Rastkar Ebrahimzadeh, J Jahanbin Sardroodi Scientific reports 11 (1), 6384, 2021 | 42 | 2021 |
A novel strategy for SOx removal by N-doped TiO2/WSe2 nanocomposite as a highly efficient molecule sensor investigated by van der Waals corrected DFT A Abbasi, JJ Sardroodi Computational and Theoretical Chemistry 1114, 8-19, 2017 | 40 | 2017 |
Are choline chloride-based deep eutectic solvents better than methyl diethanolamine solvents for natural gas Sweetening? theoretical insights from molecular dynamics simulations P Jahanbakhsh-Bonab, MD Esrafili, AR Ebrahimzadeh, JJ Sardroodi Journal of Molecular Liquids 338, 116716, 2021 | 37 | 2021 |
Molecular dynamics simulations of choline chloride and phenyl propionic acid deep eutectic solvents: Investigation of structural and dynamics properties PJ Bonab, MD Esrafili, AR Ebrahimzadeh, JJ Sardroodi Journal of Molecular Graphics and Modelling 106, 107908, 2021 | 37 | 2021 |
Prediction of a highly sensitive molecule sensor for SOx detection based on TiO2/MoS2 nanocomposites: a DFT study A Abbasi, J Jahanbin Sardroodi Journal of Sulfur Chemistry 38 (1), 52-68, 2017 | 37 | 2017 |
Theoretical study of the adsorption of NOx on TiO2/MoS2 nanocomposites: a comparison between undoped and N-doped nanocomposites A Abbasi, JJ Sardroodi Journal of Nanostructure in Chemistry 6, 309-327, 2016 | 35 | 2016 |
Isopiestic determination of osmotic coefficients and evaluation of vapor pressures for electrolyte solutions of some lithium salts in ethanol MT Zafarani-Moattar, J Jahanbin-Sardroodi Fluid phase equilibria 166 (2), 207-223, 1999 | 35 | 1999 |
Solvation free energy and solubility of acetaminophen and ibuprofen in supercritical carbon dioxide: Impact of the solvent model J Noroozi, C Ghotbi, JJ Sardroodi, J Karimi-Sabet, MA Robert The Journal of Supercritical Fluids 109, 166-176, 2016 | 33 | 2016 |