| Doubly doped graphene as gas sensing materials for oxygen-containing gas molecules: A first-principles investigation SUD Shamim, D Roy, S Alam, AA Piya, MS Rahman, MK Hossain, ... Applied Surface Science 596, 153603, 2022 | 49 | 2022 |
| Adsorption behavior of cisplatin anticancer drug on the pristine, Al-and Ga-doped BN nanosheets: A comparative DFT study AA Piya, SUD Shamim, MN Uddin, KN Munny, A Alam, MK Hossain, ... Computational and Theoretical Chemistry 1200, 113241, 2021 | 39 | 2021 |
| Surface adsorption of nitrosourea on pristine and doped (Al, Ga and In) boron nitride nanosheets as anticancer drug carriers: the DFT and COSMO insights SN Ema, MA Khaleque, A Ghosh, AA Piya, U Habiba, SUD Shamim RSC advances 11 (58), 36866-36883, 2021 | 34 | 2021 |
| Understanding Na-ion adsorption in nitrogen doped graphene oxide anode for rechargeable sodium ion batteries SUD Shamim, MK Hossain, SM Hasan, AA Piya, MS Rahman, ... Applied Surface Science 579, 152147, 2022 | 32 | 2022 |
| Unravelling the adsorption performance of BN, AlN, GaN and InN 2D nanosheets towards the ciclopirox, 5-fluorouracil and nitrosourea for anticancer drug delivery motive: A DFT-D … T Ahmed, MA Rahman, R Islam, AA Piya, SUD Shamim Computational and Theoretical Chemistry 1214, 113797, 2022 | 27 | 2022 |
| Exploring the adsorption ability with sensitivity and reactivity of C 12–B 6 N 6, C 12–Al 6 N 6, and B 6 N 6–Al 6 N 6 heteronanocages towards the cisplatin drug: a DFT, AIM … MG Muktadir, A Alam, AA Piya, SUD Shamim Rsc Advances 12 (45), 29569-29584, 2022 | 17 | 2022 |
| Exploring the adsorption performance of doped graphene quantum dots as anticancer drug carriers for cisplatin by DFT, PCM, and COSMO approaches KN Munny, T Ahmed, AA Piya, SUD Shamim Structural Chemistry 34 (6), 2089-2105, 2023 | 11 | 2023 |
| Tuning the electrochemical behavior of graphene oxide and reduced graphene oxide via doping hexagonal BN for high capacity negative electrodes for Li and Na ion batteries SUD Shamim, AA Piya, MS Rahman, SM Hasan, MK Hossain, F Ahmed Physical Chemistry Chemical Physics 25 (5), 4047-4061, 2023 | 10 | 2023 |
| Trivalent and pentavalent atoms doped boron nitride nanosheets as Favipiravir drug carriers for the treatment of COVID-19 using computational approaches AA Piya, T Ahmed, MA Khaleque, K Ahmed, SUD Shamim Computational and Theoretical Chemistry 1217, 113902, 2022 | 10 | 2022 |
| Thickness dependent numerical investigations of lead free perovskite/CIGS bilayer solar cell using SCAPS-1D M Islam, T Ahmed, SUD Shamim, AA Piya, A Basak Chemistry of Inorganic Materials 2, 100034, 2024 | 8 | 2024 |
| Investigation of the adsorption behavior of the anti-cancer drug hydroxyurea on the graphene, BN, AlN, and GaN nanosheets and their doped structures via DFT and COSMO calculations AA Piya, AKMA Hossain RSC advances 13 (39), 27309-27320, 2023 | 8 | 2023 |
| IR spectra of paracetamol U Habiba, A Alam, S Rahman, SUD Shamim, AA Piya Bangladesh Journal of Scientific and Industrial Research 56 (4), 255-262, 2021 | 7 | 2021 |
| Exploring the anodic performance of ScSeS and TiSeS monolayers of modified transition metal dichalcogenides for Mg ion batteries via DFT calculations SS Rifah, MS Zaman, AA Piya, SUD Shamim Physical Chemistry Chemical Physics 26 (8), 6667-6677, 2024 | 6 | 2024 |
| Adsorption behavior of cisplatin anticancer drug on the pristine, Al-and Ga-doped BN nanosheets: A comparative DFT study, Comput. Theor. Chem.(2021) AA Piya, SUD Shamim, MN Uddin, KN Munny, A Alam, MK Hossain, ... | 5 | 2021 |
| Assessing the sensing performance of Janus transition metal dichalcogenides (ScSSe, TiSSe and ZrSSe) for oxygen-containing toxic gas molecules such as CO, NO, NO2 and SO2 SR Khoshnobish, T Ahmed, T Arefin, AA Piya, SUD Shamim Applied Surface Science 679, 161301, 2025 | 4 | 2025 |
| Understanding the adsorption performance of TG, T-BN, T-AlN, and T-GaN nanosheets toward the thioguanine anticancer drug via DFT calculations MN Sakib, T Ahmed, MA Shafiulla, DF Afroj, AA Piya, SUD Shamim AIP Advances 14 (3), 2024 | 3 | 2024 |
| Assessment of the drug delivery potential of graphene, boron nitride and their in-plane doped structures for hydroxyurea anti-cancer drug via DFT study MH Opi, T Ahmed, MR Swarna, AA Piya, SUD Shamim Nanoscale Advances 6 (20), 5042-5054, 2024 | 2 | 2024 |
| Recent advances in Zr and Hf-based MXenes and their hetero-structure as novel anode materials for Ca-ion batteries: theoretical insights from DFT approach T Ahmed, AA Piya, SUD Shamim Nanoscale Advances, 2024 | 2 | 2024 |
| Exploring the performance of T-graphene for the anode of Mg-ion and Ca-ion batteries: A first-principles study U Habiba, AA Piya, D Shamim, S Ud AIP Advances 13 (11), 2023 | 1 | 2023 |
| Understanding the adsorption performance of hetero-nanocages (C 12–B 6 N 6, C 12–Al 6 N 6, and B 6 N 6–Al 6 N 6) towards hydroxyurea anticancer drug: a comprehensive study … MR Swarna, MH Opi, T Ahmed, AA Piya, U Habiba, SUD Shamim Nanoscale Advances 6 (23), 5988-6007, 2024 | | 2024 |
Siraj Ud Daula ShamimAssistant Professor of Physics, Mawlana Bhashani Science and Technology University, TangailVerified email at mbstu.ac.bd