| DFT study of adsorption behavior of NO, CO, NO2, and NH3 molecules on graphene-like BC3: a search for highly sensitive molecular sensor SM Aghaei, MM Monshi, I Torres, SMJ Zeidi, I Calizo Applied Surface Science 427, 326-333, 2018 | 242 | 2018 |
| Experimental and theoretical advances in MXene-based gas sensors S Mehdi Aghaei, A Aasi, B Panchapakesan ACS omega 6 (4), 2450-2461, 2021 | 129 | 2021 |
| A theoretical study of gas adsorption on silicene nanoribbons and its application in a highly sensitive molecule sensor SM Aghaei, MM Monshi, I Calizo RSC advances 6 (97), 94417-94428, 2016 | 113 | 2016 |
| Graphene-like BC6N nanosheets are potential candidates for detection of volatile organic compounds (VOCs) in human breath: A DFT study SM Aghaei, A Aasi, S Farhangdoust, B Panchapakesan Applied Surface Science 536, 147756, 2021 | 106 | 2021 |
| Doping and defect-induced germanene: a superior media for sensing H2S, SO2, and CO2 gas molecules MM Monshi, SM Aghaei, I Calizo Surface Science 665, 96-102, 2017 | 94 | 2017 |
| Band gap tuning of armchair silicene nanoribbons using periodic hexagonal holes S Mehdi Aghaei, I Calizo Journal of Applied Physics 118 (10), 2015 | 92 | 2015 |
| Application of pristine and Ni-decorated B12P12 nano-clusters as superior media for acetylene and ethylene adsorption: DFT calculations AS Rad, SM Aghaei, V Poralijan, M Peyravi, M Mirzaei Computational and Theoretical Chemistry 1109, 1-9, 2017 | 77 | 2017 |
| Pt-decorated phosphorene as a propitious room temperature VOC gas sensor for sensitive and selective detection of alcohols A Aasi, SM Aghaei, B Panchapakesan Journal of Materials Chemistry C 9 (29), 9242-9250, 2021 | 76 | 2021 |
| Outstanding Performance of Transition-Metal-Decorated Single-Layer Graphene-like BC6N Nanosheets for Disease Biomarker Detection in Human Breath A Aasi, S Mehdi Aghaei, B Panchapakesan ACS omega 6 (7), 4696-4707, 2021 | 74 | 2021 |
| Study on the electronic structure of Cr-and Ni-doped fullerenes upon adsorption of adenine: a comprehensive DFT calculation AS Rad, SM Aghaei, E Aali, M Peyravi Diamond and Related Materials 77, 116-121, 2017 | 73 | 2017 |
| Liquid biopsy using the nanotube-CTC-chip: capture of invasive CTCs with high purity using preferential adherence in breast cancer patients MS Loeian, SM Aghaei, F Farhadi, V Rai, HW Yang, MD Johnson, F Aqil, ... Lab on a Chip 19 (11), 1899-1915, 2019 | 68 | 2019 |
| Edge functionalized germanene nanoribbons: impact on electronic and magnetic properties MM Monshi, SM Aghaei, I Calizo RSC advances 7 (31), 18900-18908, 2017 | 65 | 2017 |
| Pt-, Rh-, Ru-, and Cu-single-wall carbon nanotubes are exceptional candidates for design of anti-viral surfaces: a theoretical study A Aasi, SM Aghaei, MD Moore, B Panchapakesan International Journal of Molecular Sciences 21 (15), 5211, 2020 | 58 | 2020 |
| Surface interaction of H2O and H2S onto Ca12O12 nanocluster: Quantum‐chemical analyses AS Rad, SM Aghaei, H Pazoki, E Binaeian, M Mirzaei Surface and Interface Analysis 50 (4), 411-419, 2018 | 51 | 2018 |
| Edge functionalization and doping effects on the stability, electronic and magnetic properties of silicene nanoribbons SM Aghaei, MM Monshi, I Torres, I Calizo RSC advances 6 (21), 17046-17058, 2016 | 51 | 2016 |
| A density functional theory study on the interaction of toluene with transition metal decorated carbon nanotubes: a promising platform for early detection of lung cancer from … A Aasi, SM Aghaei, B Panchapakesan Nanotechnology 31 (41), 415707, 2020 | 42 | 2020 |
| CNT biodevices for early liver cancer diagnosis based on biomarkers detection-a promising platform A Aasi, E Aasi, SM Aghaei, B Panchapakesan Journal of Molecular Graphics and Modelling 114, 108208, 2022 | 36 | 2022 |
| Application of chromium‐doped fullerene as a carrier for thymine and uracil nucleotides: Comprehensive density functional theory calculations AS Rad, SM Aghaei, E Aali, M Peyravi, M Jahanshahi Applied Organometallic Chemistry 32 (2), e4070, 2018 | 35 | 2018 |
| Potential of metal–fullerene hybrids as strong nanocarriers for cytosine and guanine nucleobases: a detailed DFT study AS Rad, SM Aghaei Current Applied Physics 18 (2), 133-140, 2018 | 34 | 2018 |
| Impact of surface oxidation on the structural, electronic transport, and optical properties of two-dimensional titanium nitride (Ti3N2) MXene SM Aghaei, I Torres, AR Baboukani, I Khakpour, C Wang Computational Condensed Matter 20, e00382, 2019 | 29 | 2019 |
Balaji PanchapakesanWorcester Polytechnic InstituteVerified email at wpi.edu
