Siraj Ud Daula Shamim
Siraj Ud Daula Shamim
Assistant Professor of Physics, Mawlana Bhashani Science and Technology University, Tangail
Verified email at - Homepage
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
IR spectra of paracetamol
U Habiba, A Alam, S Rahman, SUD Shamim, AA Piya
Bangladesh J. Sci. Ind. Res 56, 255-262, 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
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
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
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