MD. SIRAJ UD DAULA SHAMIM
মোঃ সিরাজ-উদ-দৌলা শামিম
- Assistant Professor
- sudshamim99@gmail.com
- sdshamim@mbstu.ac.bd
About Me
Research Interest
Condensed Matter Physics
Professional & Other Experiences
1. Assistant Professor of Physics, Mawlana Bhashani Science and Technology University, Tangail-1902, Bangladesh (February 2022 to present)
2. Lecturer of Physics, Mawlana Bhashani Science and Technology University, Tangail-1902, Bangladesh. (February 2020 to February 2022)
3. Lecturer of Physics, Bangladesh University of Textiles, Dhaka, Bangladesh, (From April to September 2020).
Education
1. M.Phil. in Condensed Matter Physics (Running)
Department of Physics, Jahangirnagar University, Dhaka-1342, Bangladesh
2. M.S in Physics (Thesis)
Department of Physics, Jahangirnagar University, Dhaka-1342, Bangladesh
3. B.Sc. (Hons.) in Physics
Department of Physics, Jahangirnagar University, Dhaka, Bangladesh
Publications
(1)Khoshnobish, S. R.; Ahmed, T.; Arefin, T.; Piya, A. A.; Shamim, S. U. D. 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. Applied Surface Science, 2024, 161301.
(2)Swarna, M. R.; Opi, M. H.; Ahmed, T.; Piya, A. A.; Habiba, U.; Shamim, S. U. D. Understanding the adsorption performance of hetero-nanocages (C12–B6N6, C12–Al6N6, and B6N6–Al6N6) towards hydroxyurea anticancer drug: a comprehensive study using DFT. Nanoscale Adv. 2024
(3)Rifah, S. S.; Zaman, M. S.; Piya, A. A.; Shamim, S. U. D. Exploring the Anodic Performance of ScSeS and TiSeS Monolayers of Modified Transition Metal Dichalcogenides for Mg Ion Batteries via DFT Calculations. Phys. Chem. Chem. Phys. 2024, 26 (8), 6667–6677.
(4)Islam, M.; Ahmed, T.; Shamim, S. U. D.; Piya, A. A.; Basak, A. Thickness Dependent Numerical Investigations of Lead Free Perovskite/CIGS Bilayer Solar Cell Using SCAPS-1D. Chem. Inorg. Mater. 2024, 2, 100034.
(5)Sakib, M. N.; Ahmed, T.; Shafiulla, M. A.; Afroj, D. F.; Piya, A. A.; Shamim, S. U. D. Understanding the Adsorption Performance of TG, T-BN, T-AlN, and T-GaN Nanosheets toward the Thioguanine Anticancer Drug via DFT Calculations. AIP Adv. 2024, 14 (3).
(6)Ahmed, T.; Piya, A. A.; Shamim, S. U. D. 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. Nanoscale Adv. 2024.
(7)Opi, M. H.; Ahmed, T.; Swarna, M. R.; Piya, A. A.; Shamim, S. U. D. Assessment of the Drug Delivery Potential of Graphene, Boron Nitride and Their in-Plane Doped Structures for Hydroxyurea Anti-Cancer Drug via DFT Study. Nanoscale Adv. 2024.
(8)Ahmed, T.; Shamim, S. U. D.; Maity, S. K.; Basak, A. Performance Evaluation of Lead Free CH3NH3SnI3/GeTe Tandem Solar Cell with HTL Layer by SCAPS 1D. Optik (Stuttg). 2023, 282, 170836.
(9)Shamim, S. U. D.; Piya, A. A.; Rahman, M. S.; Hasan, S. M.; Hossain, M. K.; Ahmed, F. 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. Phys. Chem. Chem. Phys. 2023, 25 (5), 4047–4061.
(10)Munny, K. N.; Ahmed, T.; Piya, A. A.; Shamim, S. U. D. Exploring the Adsorption Performance of Doped Graphene Quantum Dots as Anticancer Drug Carriers for Cisplatin by DFT, PCM, and COSMO Approaches. Struct. Chem. 2023, 34 (6), 2089–2105.
(11)Obaidullah, O.; Habiba, U.; Piya, A. A.; Daula Shamim, S. U. Exploring the Performance of T-Graphene for the Anode of Mg-Ion and Ca-Ion Batteries: A First-Principles Study. AIP Adv. 2023, 13 (11).
(12)Shamim, S. U. D.; Miah, M. H.; Hossain, M. R.; Hasan, M. M.; Hossain, M. K.; Hossain, M. A.; Ahmed, F. Theoretical Investigation of Emodin Conjugated Doped B12N12 Nanocage by Means of DFT, QTAIM and PCM Analysis. Phys. E Low-Dimensional Syst. Nanostructures 2022, 136, 115027.
(13)Shamim, S. U. D.; Hossain, M. K.; Hasan, S. M.; Piya, A. A.; Rahman, M. S.; Hossain, M. A.; Ahmed, F. Understanding Na-Ion Adsorption in Nitrogen Doped Graphene Oxide Anode for Rechargeable Sodium Ion Batteries. Appl. Surf. Sci. 2022, 579.
(14)Shamim, S. U. D.; Roy, D.; Alam, S.; Piya, A. A.; Rahman, M. S.; Hossain, M. K.; Ahmed, F. Doubly Doped Graphene as Gas Sensing Materials for Oxygen-Containing Gas Molecules: A First-Principles Investigation. Appl. Surf. Sci. 2022, 596 (January), 153603.
(15)Ahmed, T.; Rahman, M. A.; Islam, R.; Piya, A. A.; Shamim, S. U. D. 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 with QTAIM, PCM and COSMO Investigations. Comput. Theor. Chem. 2022, 1214, 113797.
(16)Das, S.; Shamim, S. U. D.; Hossain, M. K.; Ahmed, F.; Hossain, M. A.; Rahman, M. O. A Novel Silicon-Doped 2D Ti2C MXene Monolayer as High Capacity Stable Anode Material for Lithium Ion Batteries: Insight from Density Functional Theory Study. Appl. Surf. Sci. 2022.
(17)Piya, A. A.; Ahmed, T.; Khaleque, M. A.; Ahmed, K.; Shamim, S. U. D. Trivalent and Pentavalent Atoms Doped Boron Nitride Nanosheets as Favipiravir Drug Carriers for the Treatment of COVID-19 Using Computational Approaches. Comput. Theor. Chem. 2022, 1217, 113902.
(18)Muktadir, M. G.; Alam, A.; Piya, A. A.; Shamim, S. U. D. 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, and COSMO Analysis. Rsc Adv. 2022, 12 (45), 29569–29584.
(19)Hossain, M. R.; Hasan, M. M.; Shamim, S. U. D.; Ferdous, T.; Hossain, M. A.; Ahmed, F. First-Principles Study of the Adsorption of Chlormethine Anticancer Drug on C24, B12N12 and B12C6N6 Nanocages. Comput. Theor. Chem. 2021, 1197, 113156.
(20)Piya, A. A.; Shamim, S. U. D.; Uddin, M. N.; Munny, K. N.; Alam, A.; Hossain, M. K.; Ahmed, F. Adsorption Behavior of Cisplatin Anticancer Drug on the Pristine, Al- and Ga-Doped BN Nanosheets: A Comparative DFT Study. Comput. Theor. Chem. 2021, 1200.
(21)Mawwa, J.; Shamim, S. U. D.; Khanom, S.; Hossain, M. K.; Ahmed, F. In-Plane Graphene/Boron Nitride Heterostructures and Their Potential Application as Toxic Gas Sensors. RSC Adv. 2021, 11 (52), 32810–32823.
(22)Ema, S. N.; Khaleque, M. A.; Ghosh, A.; Piya, A. A.; Habiba, U.; Shamim, S. U. D. Surface Adsorption of Nitrosourea on Pristine and Doped (Al, Ga and In) Boron Nitride Nanosheets as Anticancer Drug Carriers: The DFT and COSMO Insights. RSC Adv. 2021, 11 (58), 36866–36883.
(23)Habiba, U.; Alam, A.; Rahman, S.; Shamim, S. U. D.; Piya, A. A. IR Spectra of Paracetamol. Bangladesh J. Sci. Ind. Res. 2021, 56 (4), 255–262.
(24)Roy, T. S.; Shamim, S. U. D.; Rahman, M. K.; Ahmed, F.; Gafur, M. A. The Development of ZnO Nanoparticle Coated Cotton Fabrics for Antifungal and Antibacterial Applications. Mater. Sci. Appl. 2020, 11 (9), 601–610.
(25)Shamim, S. U. D.; Hussain, T.; Hossian, M. R.; Hossain, M. K.; Ahmed, F.; Ferdous, T.; Hossain, M. A. A DFT Study on the Geometrical Structures, Electronic, and Spectroscopic Properties of Inverse Sandwich Monocyclic Boron Nanoclusters ConBm (n = 1.2; m = 6–8). J. Mol. Model. 2020.
(26)Shamim, S. U. D.; Hossain, M. K.; Hasan, S. M.; Hossain, A.; Ahmed, F. Ab Initio Study of N-Doped Graphene Oxide (NDGO) as a Promising Anode Material for Li-Ion Rechargeable Battery. Mol. Simul. 2020, 46 (14), 1135–1145.
(2)Swarna, M. R.; Opi, M. H.; Ahmed, T.; Piya, A. A.; Habiba, U.; Shamim, S. U. D. Understanding the adsorption performance of hetero-nanocages (C12–B6N6, C12–Al6N6, and B6N6–Al6N6) towards hydroxyurea anticancer drug: a comprehensive study using DFT. Nanoscale Adv. 2024
(3)Rifah, S. S.; Zaman, M. S.; Piya, A. A.; Shamim, S. U. D. Exploring the Anodic Performance of ScSeS and TiSeS Monolayers of Modified Transition Metal Dichalcogenides for Mg Ion Batteries via DFT Calculations. Phys. Chem. Chem. Phys. 2024, 26 (8), 6667–6677.
(4)Islam, M.; Ahmed, T.; Shamim, S. U. D.; Piya, A. A.; Basak, A. Thickness Dependent Numerical Investigations of Lead Free Perovskite/CIGS Bilayer Solar Cell Using SCAPS-1D. Chem. Inorg. Mater. 2024, 2, 100034.
(5)Sakib, M. N.; Ahmed, T.; Shafiulla, M. A.; Afroj, D. F.; Piya, A. A.; Shamim, S. U. D. Understanding the Adsorption Performance of TG, T-BN, T-AlN, and T-GaN Nanosheets toward the Thioguanine Anticancer Drug via DFT Calculations. AIP Adv. 2024, 14 (3).
(6)Ahmed, T.; Piya, A. A.; Shamim, S. U. D. 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. Nanoscale Adv. 2024.
(7)Opi, M. H.; Ahmed, T.; Swarna, M. R.; Piya, A. A.; Shamim, S. U. D. Assessment of the Drug Delivery Potential of Graphene, Boron Nitride and Their in-Plane Doped Structures for Hydroxyurea Anti-Cancer Drug via DFT Study. Nanoscale Adv. 2024.
(8)Ahmed, T.; Shamim, S. U. D.; Maity, S. K.; Basak, A. Performance Evaluation of Lead Free CH3NH3SnI3/GeTe Tandem Solar Cell with HTL Layer by SCAPS 1D. Optik (Stuttg). 2023, 282, 170836.
(9)Shamim, S. U. D.; Piya, A. A.; Rahman, M. S.; Hasan, S. M.; Hossain, M. K.; Ahmed, F. 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. Phys. Chem. Chem. Phys. 2023, 25 (5), 4047–4061.
(10)Munny, K. N.; Ahmed, T.; Piya, A. A.; Shamim, S. U. D. Exploring the Adsorption Performance of Doped Graphene Quantum Dots as Anticancer Drug Carriers for Cisplatin by DFT, PCM, and COSMO Approaches. Struct. Chem. 2023, 34 (6), 2089–2105.
(11)Obaidullah, O.; Habiba, U.; Piya, A. A.; Daula Shamim, S. U. Exploring the Performance of T-Graphene for the Anode of Mg-Ion and Ca-Ion Batteries: A First-Principles Study. AIP Adv. 2023, 13 (11).
(12)Shamim, S. U. D.; Miah, M. H.; Hossain, M. R.; Hasan, M. M.; Hossain, M. K.; Hossain, M. A.; Ahmed, F. Theoretical Investigation of Emodin Conjugated Doped B12N12 Nanocage by Means of DFT, QTAIM and PCM Analysis. Phys. E Low-Dimensional Syst. Nanostructures 2022, 136, 115027.
(13)Shamim, S. U. D.; Hossain, M. K.; Hasan, S. M.; Piya, A. A.; Rahman, M. S.; Hossain, M. A.; Ahmed, F. Understanding Na-Ion Adsorption in Nitrogen Doped Graphene Oxide Anode for Rechargeable Sodium Ion Batteries. Appl. Surf. Sci. 2022, 579.
(14)Shamim, S. U. D.; Roy, D.; Alam, S.; Piya, A. A.; Rahman, M. S.; Hossain, M. K.; Ahmed, F. Doubly Doped Graphene as Gas Sensing Materials for Oxygen-Containing Gas Molecules: A First-Principles Investigation. Appl. Surf. Sci. 2022, 596 (January), 153603.
(15)Ahmed, T.; Rahman, M. A.; Islam, R.; Piya, A. A.; Shamim, S. U. D. 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 with QTAIM, PCM and COSMO Investigations. Comput. Theor. Chem. 2022, 1214, 113797.
(16)Das, S.; Shamim, S. U. D.; Hossain, M. K.; Ahmed, F.; Hossain, M. A.; Rahman, M. O. A Novel Silicon-Doped 2D Ti2C MXene Monolayer as High Capacity Stable Anode Material for Lithium Ion Batteries: Insight from Density Functional Theory Study. Appl. Surf. Sci. 2022.
(17)Piya, A. A.; Ahmed, T.; Khaleque, M. A.; Ahmed, K.; Shamim, S. U. D. Trivalent and Pentavalent Atoms Doped Boron Nitride Nanosheets as Favipiravir Drug Carriers for the Treatment of COVID-19 Using Computational Approaches. Comput. Theor. Chem. 2022, 1217, 113902.
(18)Muktadir, M. G.; Alam, A.; Piya, A. A.; Shamim, S. U. D. 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, and COSMO Analysis. Rsc Adv. 2022, 12 (45), 29569–29584.
(19)Hossain, M. R.; Hasan, M. M.; Shamim, S. U. D.; Ferdous, T.; Hossain, M. A.; Ahmed, F. First-Principles Study of the Adsorption of Chlormethine Anticancer Drug on C24, B12N12 and B12C6N6 Nanocages. Comput. Theor. Chem. 2021, 1197, 113156.
(20)Piya, A. A.; Shamim, S. U. D.; Uddin, M. N.; Munny, K. N.; Alam, A.; Hossain, M. K.; Ahmed, F. Adsorption Behavior of Cisplatin Anticancer Drug on the Pristine, Al- and Ga-Doped BN Nanosheets: A Comparative DFT Study. Comput. Theor. Chem. 2021, 1200.
(21)Mawwa, J.; Shamim, S. U. D.; Khanom, S.; Hossain, M. K.; Ahmed, F. In-Plane Graphene/Boron Nitride Heterostructures and Their Potential Application as Toxic Gas Sensors. RSC Adv. 2021, 11 (52), 32810–32823.
(22)Ema, S. N.; Khaleque, M. A.; Ghosh, A.; Piya, A. A.; Habiba, U.; Shamim, S. U. D. Surface Adsorption of Nitrosourea on Pristine and Doped (Al, Ga and In) Boron Nitride Nanosheets as Anticancer Drug Carriers: The DFT and COSMO Insights. RSC Adv. 2021, 11 (58), 36866–36883.
(23)Habiba, U.; Alam, A.; Rahman, S.; Shamim, S. U. D.; Piya, A. A. IR Spectra of Paracetamol. Bangladesh J. Sci. Ind. Res. 2021, 56 (4), 255–262.
(24)Roy, T. S.; Shamim, S. U. D.; Rahman, M. K.; Ahmed, F.; Gafur, M. A. The Development of ZnO Nanoparticle Coated Cotton Fabrics for Antifungal and Antibacterial Applications. Mater. Sci. Appl. 2020, 11 (9), 601–610.
(25)Shamim, S. U. D.; Hussain, T.; Hossian, M. R.; Hossain, M. K.; Ahmed, F.; Ferdous, T.; Hossain, M. A. A DFT Study on the Geometrical Structures, Electronic, and Spectroscopic Properties of Inverse Sandwich Monocyclic Boron Nanoclusters ConBm (n = 1.2; m = 6–8). J. Mol. Model. 2020.
(26)Shamim, S. U. D.; Hossain, M. K.; Hasan, S. M.; Hossain, A.; Ahmed, F. Ab Initio Study of N-Doped Graphene Oxide (NDGO) as a Promising Anode Material for Li-Ion Rechargeable Battery. Mol. Simul. 2020, 46 (14), 1135–1145.