First-principles study of the adsorption of chlormethine anticancer drug on C24, B12N12 and B12C6N6 nanocages MR Hossain, MM Hasan, SUD Shamim, T Ferdous, MA Hossain, F Ahmed Computational and Theoretical Chemistry 1197, 113156, 2021 | 78 | 2021 |
Theoretical investigation of emodin conjugated doped B12N12 nanocage by means of DFT, QTAIM and PCM analysis SUD Shamim, MH Miah, MR Hossain, MM Hasan, MK Hossain, ... Physica E: Low-Dimensional Systems and Nanostructures 136, 115027, 2022 | 46 | 2022 |
In-plane graphene/boron nitride heterostructures and their potential application as toxic gas sensors J Mawwa, SUD Shamim, S Khanom, MK Hossain, F Ahmed RSC advances 11 (52), 32810-32823, 2021 | 40 | 2021 |
A DFT study on the geometrical structures, electronic, and spectroscopic properties of inverse sandwich monocyclic boron nanoclusters Co n B m (n= 1.2; m= 6–8) SUD Shamim, T Hussain, MR Hossian, MK Hossain, F Ahmed, T Ferdous, ... Journal of Molecular Modeling 26, 1-17, 2020 | 40 | 2020 |
A novel silicon-doped 2D Ti2C MXene monolayer as high capacity stable anode material for lithium ion batteries: Insight from density functional theory study S Das, SUD Shamim, MK Hossain, F Ahmed, MA Hossain, MO Rahman Applied Surface Science 600, 154173, 2022 | 32 | 2022 |
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 | 31 | 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 | 30 | 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 | 28 | 2022 |
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 | 25 | 2021 |
Ab initio study of N-doped graphene oxide (NDGO) as a promising anode material for Li-ion rechargeable battery SU Daula Shamim, MK Hossain, SM Hasan, A Hossain, F Ahmed Molecular Simulation 46 (14), 1135-1145, 2020 | 23 | 2020 |
The development of ZnO nanoparticle coated cotton fabrics for antifungal and antibacterial applications TS Roy, SUD Shamim, MK Rahman, F Ahmed, MA Gafur Materials Sciences and Applications 11 (9), 601-610, 2020 | 17 | 2020 |
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 | 16 | 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 | 11 | 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 | 7 | 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 | 7 | 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 | 6 | 2022 |
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 | 3 | 2021 |
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 | 2 | 2024 |
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 | 2 | 2024 |
Performance evaluation of lead free CH3NH3SnI3/GeTe Tandem solar cell with HTL layer by SCAPS 1D T Ahmed, SUD Shamim, SK Maity, A Basak Optik 282, 170836, 2023 | 2 | 2023 |