A first-principles study of the adsorption behavior of CO on Al-and Ga-doped single-walled BN nanotubes AA Peyghan, A Soltani, AA Pahlevani, Y Kanani, S Khajeh Applied Surface Science 270, 25-32, 2013 | 153 | 2013 |
H2O2 adsorption on the BN and SiC nanotubes: a DFT study A Soltani, AA Peyghan, Z Bagheri Physica E: Low-dimensional Systems and Nanostructures 48, 176-180, 2013 | 123 | 2013 |
Ab initio investigation of Al-and Ga-doped single-walled boron nitride nanotubes as ammonia sensor A Soltani, SG Raz, VJ Rezaei, AD Khalaji, M Savar Applied surface science 263, 619-625, 2012 | 101 | 2012 |
A computational study of adenine, uracil, and cytosine adsorption upon AlN and BN nano-cages MT Baei, MR Taghartapeh, ET Lemeski, A Soltani Physica B: Condensed Matter 444, 6-13, 2014 | 99 | 2014 |
Sensitivity of BN nano-cages to caffeine and nicotine molecules A Soltani, MT Baei, ET Lemeski, M Shahini Superlattices and Microstructures 76, 315-325, 2014 | 84 | 2014 |
Adsorption behavior of metformin drug on boron nitride fullerenes: Thermodynamics and DFT studies AS Ghasemi, MR Taghartapeh, A Soltani, PJ Mahon Journal of Molecular Liquids 275, 955-967, 2019 | 74 | 2019 |
Adsorption of celecoxib on B12N12 fullerene: spectroscopic and DFT/TD-DFT study N Abdolahi, M Aghaei, A Soltani, Z Azmoodeh, H Balakheyli, F Heidari Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 204, 348-353, 2018 | 70 | 2018 |
A DFT study on the interaction between 5-fluorouracil and B 12 N 12 nanocluster MB Javan, A Soltani, Z Azmoodeh, N Abdolahi, N Gholami RSC Advances 6 (106), 104513-104521, 2016 | 70 | 2016 |
Adsorption of cyanogen chloride over Al-and Ga-doped BN nanotubes A Soltani, MT Baei, AS Ghasemi, ET Lemeski, KH Amirabadi Superlattices and Microstructures 75, 564-575, 2014 | 69 | 2014 |
A DFT study of 5-fluorouracil adsorption on the pure and doped BN nanotubes A Soltani, MT Baei, ET Lemeski, S Kaveh, H Balakheyli Journal of Physics and Chemistry of Solids 86, 57-64, 2015 | 67 | 2015 |
Electronic and optical properties of 5-AVA-functionalized BN nanoclusters: a DFT study A Soltani, A Sousaraei, MB Javan, M Eskandari, H Balakheyli New Journal of Chemistry 40 (8), 7018-7026, 2016 | 66 | 2016 |
Carbon monoxide interactions with pure and doped B 11 XN 12 (X= Mg, Ge, Ga) nano-clusters: a theoretical study A Soltani, MB Javan RSC advances 5 (110), 90621-90631, 2015 | 61 | 2015 |
Adsorption properties of N2O on (6, 0),(7, 0), and (8, 0) zigzag single-walled boron nitride nanotubes: a computational study MT Baei, AR Soltani, AV Moradi, ET Lemeski Computational and Theoretical Chemistry 970 (1-3), 30-35, 2011 | 61 | 2011 |
Ab initio study of the NO2 and SO2 adsorption on Al12N12 nano-cage sensitized with gallium and magnesium A Soltani, SG Raz, MR Taghartapeh, AV Moradi, RZ Mehrabian Computational materials science 79, 795-803, 2013 | 59 | 2013 |
Adsorption of chemical warfare agents over C24 fullerene: effects of decoration of cobalt A Soltani, MB Javan, MT Baei, Z Azmoodeh Journal of Alloys and Compounds 735, 2148-2161, 2018 | 58 | 2018 |
Interaction of hydrogen with Pd-and co-decorated C24 fullerenes: density functional theory study A Soltani, MB Javan, MS Hoseininezhad-Namin, N Tajabor, ET Lemeski, ... Synthetic Metals 234, 1-8, 2017 | 58 | 2017 |
The electronic and structural properties of BN and BP nano-cages interacting with OCN−: a DFT study A Soltani, MT Baei, M Mirarab, M Sheikhi, ET Lemeski Journal of Physics and Chemistry of Solids 75 (10), 1099-1105, 2014 | 57 | 2014 |
Phenol interaction with different nano-cages with and without an electric field: a DFT study A Soltani, MT Baei, MR Taghartapeh, ET Lemeski, S Shojaee Structural Chemistry 26, 685-693, 2015 | 56 | 2015 |
Ga-doped and antisite double defects enhance the sensitivity of boron nitride nanotubes towards Soman and Chlorosoman MB Javan, A Soltani, AS Ghasemi, ET Lemeski, N Gholami, H Balakheyli Applied Surface Science 411, 1-10, 2017 | 53 | 2017 |
Serine adsorption through different functionalities on the B12N12 and Pt-B12N12 nanocages A Soltani, MR Taghartapeh, V Erfani-Moghadam, MB Javan, F Heidari, ... Materials Science and Engineering: C 92, 216-227, 2018 | 48 | 2018 |