Mohammad Tanvir Ahmed was born in the Dhaka district of Bangladesh. He completed his SSC and HSC from Savar Cantonment Public School & College, Savar, Dhaka. He went to Jahangirnagar University, earning his Bachelor's and Master's degrees in Physics. He conducted his M.S. Thesis on Perovskite thin film for optoelectronic research. He received the NST fellowship under the Ministry of Science and Technology Bangladesh for his M.S. research. He was appointed as a lecturer of Physics at BGMEA University of Fashion & Technology from 27 March 2022 to 01 November 2022. Tanvir joined as a lecturer of Physics at Jashore University of Science and Technology on 05 November 2022.
EDUCATION
M.S. (Physics) GPA:3.99/4.00
Duration: 2018 - 2020
Jahangirnagar University
B.Sc. (Physics) CGPA:3.68/4.00
Duration: 2014 - 2018
Jahangirnagar University
H.S.C. GPA:5.00/5.00
Duration: 2011 - 2013
Savar Cantonment Public School and College
S.S.C. GPA:5.00/5.00
Duration: 2009 - 2011
Savar Cantonment Public School and College
RESEARCH, TEACHING, or OTHER INTERESTS
Materials Science, Surfaces, Coatings and Films, Condensed Matter Physics, Spectroscopy
Adsorption and Sensing Behavior of Pristine, P-Doped, and Al-Doped Boron Nitride Nanosheets Toward Toxic Hydrogen Fluoride Gas: Insights from Density Functional Theory Analysis Nihal Siddique, Rashek Dewan Daymond, Md. Hasan Shahria Fahim, Utso Jyoti Golder, Debashis Roy, Abdullah Al Roman, Mohammad Tanvir Ahmed Chemistryopen, 2026 This study employs first‐principles density functional theory (DFT) to investigate the adsorption behavior of pristine, P‐doped, and Al‐doped boron nitride nanosheets toward toxic hydrogen fluoride (HF) gas. Molecular dynamics simulations conclusively validate the structural integrity of doped nanosheets. The adsorption energy calculations demonstrated that HF binds most strongly to pristine BN (−2.42 eV), followed by P‐BN (−2.28 eV), with the weakest binding on Al‐BN (−1.28 eV), indicating that all interactions are classified as chemisorption. However, Al‐BN exhibited the fastest recovery time at just 3.28 × 10 −2 s at 500 K with ultraviolet irradiation. HF adsorption‐induced changes in the bandgap and work function revealed enhanced electrical conductivity. Optical properties, including the absorption coefficient and reflectivity, display pronounced UV‐spectrum peaks. This detailed analysis reveals that P‐doped BN is the most sensitive and selective candidate for detecting HF. Meanwhile, Al‐doped BN offers rapid desorption and operational adaptability, establishing the foundation for designing top‐performing sensors.
Hg²+ recognition by 2-naphthol: Experimental and quantum computational insights Joardar GIM, Most Tahera KHATUN, Triporna SAHA, Zannatul KOWSER, Nasim MAHUD, Rajib HASAN, Md. Abdullah Al MAMUN, Rashedul ISLAM, Mohammad Tanvir AHMED Chinese Journal of Analytical Chemistry, 2026 Mercury is regarded as a particularly dangerous metal ion because of its fatal effects on humans and the ecosystem. Herein, we have synthesized a novel chemosensor, L, including a 2-naphthol-derived azo framework, has been synthesized and examined for its selective and sensitive detection of mercury (II) ions (Hg²⁺). The complexation behavior of L with Hg²⁺ is validated using UV–Vis, ATR-FTIR, NMR and FESEM studies. Job’s plot indicates a 1:1 binding stoichiometry. The association constant (Kₐ) of 1.07 × 10⁴ M⁻¹ and a detection limit of 6.21 × 10⁻⁷ M, demonstrating robust affinity and elevated sensitivity. DFT calculations clarify the binding affinity and electronic rearrangement, while FMO and DOS analysis reveal substantial orbital overlap indicative of a metal-to-ligand charge transfer (MLCT) mechanism. Topological analyses (QTAIM, NCI, RDG, ELF, LOL) provide additional characterization of noncovalent interactions and electron density redistribution. Molecular docking with estrogen receptor-α (PDB ID: 3ERT) demonstrates a favorable binding energy of −7.8 kcal/mol, underscoring the sensor's potential biological significance.
T-graphene nanotube: A promising candidate for H2 storage application Mohammad Tanvir Ahmed, Debashis Roy, Abdullah Al Roman, Farid Ahmed International Journal of Hydrogen Energy, 2026 Hydrogen (H) storage on the tetragonal graphene nanotube (TGNT) is studied using density functional theory calculations. The cohesive energy of −8.48 eV and the absence of negative phonon frequency confirm the structural and dynamic stability of TGNT. The TGNT was found to be a stable geometry at room temperature, as determined by molecular dynamics simulation. The TGNT has successfully adsorbed up to 30H 2 molecules on its surface with a very nominal deformation energy of about −0.08 eV. The average adsorption energy for H 2 molecules is −0.083 eV/H 2, resulting in a low desorption temperature. The TGNT demonstrates a storage capacity of up to 9.49 wt% H 2 . No significant change in the metallic behavior of TGNT is observed due to H 2 adsorption. The optical reflectivity shows a slight red shift after H 2 adsorption. The reduced density gradient analysis reveals the presence of van der Waals interaction between the adsorbent and adsorbate. This research suggests that TGNT is a potential candidate for H 2 storage.
Evaluating health risks and innovative mitigation strategies for heavy metals in vegetables from Jashore, Bangladesh Md. Rajib Hasan, Umama Akther, Zannatul Kowser, Md. Tushar Khan, Joardar Gim, Md. Rakibul Islam, Mahadi Hasan, Israt Jahan, K.M. Anis-Ul-Haque, Mohammad Tanvir Ahmed, Md. Shahedur Rahman Journal of Food Composition and Analysis, 2025 The Jashore district in Bangladesh is a major hub for vegetable cultivation and export. This study assesses the quality of vegetables from the region by determining concentrations of heavy metals (Fe, Zn, Cu, Pb, Cr, As, Cd) using Inductively Coupled Plasma Optical Emission Spectroscopy (ICP-OES). In parallel, strategies to reduce heavy metal contents were explored. Health risk assessments were conducted through Estimated Daily Intake and Target Hazard Quotient calculations for seven commonly consumed vegetables. The cadmium (Cd) concentration in beans (0.11 mg/kg) exceeded the permissible limit of 0.05 mg/kg, raising concerns about food safety. The TTHQ values followed the order: cauliflower (9.259E–02) < chili (8.400E–02) < brinjal (8.326E–02) < radish (7.443E–02) < carrot (6.062E–02) < cabbage (4.551E–02) < bean (1.253E–01), all of which were below the threshold value of 1, indicating no significant health risk. Washing vegetables with water, vinegar, brine, and Na₂CO₃ effectively reduced heavy metals. DFT modeling showed strong metal-ligand interactions and reduced HOMO–LUMO energy gaps, indicating complex formation. These affordable household methods offer molecular-level insights into metal removal and show promise for lowering environmental and health risks associated with heavy metal contamination.
DFT Investigation of Tetragonal Boron Nitride Nanoflakes for CO, NO, HCN, BrCl, F2, Br2, and Cl2Hazardous Gas Sensing Debashis Roy, Moytri Ghosal, Fatin Hasnat Shihab, Mohammad Tanvir Ahmed, Md Kamal Hossain, Farid Ahmed ACS Applied Nano Materials, 2025 In this study, we employed density functional theory (DFT) to investigate the stability and adsorption performance of tetragonal boron nitride (T-BN) nanoflakes toward toxic gases, including CO, NO, HCN, BrCl, F 2, Br 2, and Cl 2 . Vibrational frequency analysis confirmed the dynamical stability of T-BN. We performed comprehensive analyses, including adsorption energy, recovery time, Mulliken charge distribution, frontier molecular orbital (FMO) characteristics, partial density of states (PDOS), electrical conductivity, work function, sensitivity, quantum molecular descriptors, and thermodynamic parameters, to explore the potential gas-sensing applications of the T-BN nanoflake. The global minimum structure analysis revealed that all target gases preferentially adsorb at the octagonal site. Adsorption energy and recovery time analyses demonstrated negative adsorption energies for all gases, with Br 2 and BrCl exhibiting the highest adsorption energies along with favorable recovery times, indicating the potential for sensor reusability. Furthermore, Quantum Theory of Atoms in Molecules (QTAIM) and noncovalent interaction (NCI) analyses were conducted to elucidate the nature and visualization of the interactions, confirming the presence of interactions between the nanoflake and the target gas molecules. Based on the obtained results, it can be concluded that T-BN nanoflakes hold promise as potential candidates for toxic gas-sensing applications.
Hg²+ recognition by 2-naphthol: Experimental and quantum computational insights GIM Joardar, MT KHATUN, S Triporna, Z KOWSER, N MAHUD, R HASAN, ... Chinese Journal of Analytical Chemistry 54 (3), 100650 , 2026 2026
Exploring tetragonal aluminum nitride (T‑AlN) nanosheets for CO, CO 2 , NO, NO 2 , and SO 2 gas sensing: insights from first-principles calculations A Talha, FH Shihab, MT Ahmed, A Al Roman, D Roy Journal of Materials Science, 1-34 , 2026 2026 Citations: 1
Designing hydrogenated graphene (H_C) for detecting HCN, HN3, ClO2 and O3 toxic gas molecules KF Riea, UJ Golder, A Talha, MT Ahmed, D Roy, A Al Roman Physica E: Low-dimensional Systems and Nanostructures, 116475 , 2026 2026
T-graphene nanotube: A promising candidate for H2 storage application MT Ahmed, D Roy, A Al Roman, F Ahmed International Journal of Hydrogen Energy 200, 152932 , 2026 2026 Citations: 1
Hg2+ recognition by 2-naphthol: Experimental and quantum computational insights GIM Joardar, MT KHATUN, S Triporna, Z KOWSER, N MAHUD, R HASAN, ... Chinese Journal of Analytical Chemistry 54, 100650 , 2026 2026
B4C4 nanocluster ring for toxic heavy metal ion adsorption from wastewater: A DFT study FH Shihab, MF Mou, D Roy, A Al Roman, MT Ahmed Journal of Physics and Chemistry of Solids 207, 112896 , 2025 2025 Citations: 6
T-boron-nitride and black phosphorus nanoflakes for anticancer drug delivery application: A computational insight MHS Fahim, SR Biswas, RD Daymond, AA Mehnaz, SA Shetu, ... Journal of Molecular Liquids 438, 128799 , 2025 2025 Citations: 2
Purification of Ni2+ Heavy Metal Ions from Wastewater Using γ-Graphyne: Insights from DFT and QTAIM Analysis AA Mehnaz, MHS Fahim, D Roy, A Al Roman, MT Ahmed Solid State Communications, 116238 , 2025 2025 Citations: 1
DFT Investigation of Tetragonal Boron Nitride Nanoflakes for CO, NO, HCN, BrCl, F 2 , Br 2 , and Cl 2 Hazardous Gas Sensing D Roy, M Ghosal, FH Shihab, MT Ahmed, MK Hossain, F Ahmed ACS Applied Nano Materials 8 (46), 22166-22177 , 2025 2025 Citations: 4
First-principles study of CO, NO, and SO 2 adsorption mechanisms on phosphorus-doped tetragonal boron nitride nanosheets for gas sensing applications UJ Golder, MH Rocky, AI Akunjee, FH Shihab, D Roy, AA Roman, ... Physica Scripta 100 (11), 115942 , 2025 2025 Citations: 1
A first principles study of the adsorption behavior of H2S and SO2 gases on AlN nanosheets with fluorine defects SR Biswas, MHS Fahim, MT Ahmed, A Al Roman, D Roy Chemical Physics Letters, 142497 , 2025 2025 Citations: 2
Customizing the elastic, thermodynamic and optical properties of Cu, Zn and Mn transition metal doped Zr2B4 ceramics: A first-principles perspective I Sarmin, K Hossain, MT Ahmed, H Adawi, H Akther, A Amri, MM Rahman Next Materials 9, 100942 , 2025 2025
Evaluating Health Risks and Innovative Mitigation Strategies for Heavy Metals in Vegetables from Jashore, Bangladesh MR Hasan, U Akther, Z Kowser, MT Khan, J Gim, MR Islam, M Hasan, ... Journal of Food Composition and Analysis, 108288 , 2025 2025 Citations: 1
Adsorption Behavior of the Blue Phosphorene Monolayer, Doped with Ti and Cr, for CO2 and SO3 Gases: A First-Principles Analysis MHS Fahim, A Talha, SR Biswas, MT Ahmed, A Al Roman, D Roy Surfaces and Interfaces, 107318 , 2025 2025 Citations: 11
Ab initio study of Ge-doped boron carbon nitride nanosheet for CH2O and CNCl gas sensing MH Rocky, FH Shihab, D Roy, A Al Roman, MT Ahmed Diamond and Related Materials, 112681 , 2025 2025 Citations: 7
An Ab Initio Study of S-doped Penta-Graphene for Oxygen-based Toxic Gas Sensing Application MH Rocky, FH Shihab, D Roy, A Al Roman, MT Ahmed Materials Chemistry and Physics, 131277 , 2025 2025 Citations: 7
C 3 B 2 Quantum Dot: A Potential Candidate for Heavy Metal Ion Detection and Removal in Wastewater Treatment MT Ahmed, D Roy, AA Roman, S Islam, F Ahmed Langmuir 41 (14), 9456-9468 , 2025 2025 Citations: 5
Density Functional Theory Calculations of Tetragonal Graphene Nanobowls for Toxic Heavy Metal Ion Removal from Wastewater MF Mou, M Khatun, D Roy, AA Roman, MT Ahmed ACS Applied Nano Materials 8 (7), 3497-3510 , 2025 2025 Citations: 20
Investigation of optoelectronic, mechanical and thermodynamic properties of cubic perovskite FrBCl3 (B= Zn, Cd) in approach of density functional theory U Bushra, MA Rahman, MT Ahmed, D Roy, MA Badsha Physica B: Condensed Matter 697, 416702 , 2025 2025 Citations: 13
Al and Ti-doped black phosphorus as sensitive materials for adsorption of HF and H 2 S toxic gases: an ab initio study RD Daymond, FH Shihab, N Siddique, MT Ahmed, A Al Roman, D Roy RSC Advances 15 (35), 28703-28720 , 2025 2025 Citations: 6
MOST CITED SCHOLAR PUBLICATIONS
Phosphorus-doped T-graphene nanocapsule toward O 3 and SO 2 gas sensing: a DFT and QTAIM analysis MT Ahmed, AA Roman, D Roy, S Islam, F Ahmed Scientific Reports 14 (1), 3467 , 2024 2024 Citations: 69
First principles investigations of Cobalt and Manganese doped boron nitride nanosheet for gas sensing application MT Ahmed, S Hasan, S Islam, F Ahmed Applied Surface Science 623, 157083 , 2023 2023 Citations: 58
Ab Initio Study of the Graphyne-like γ-SiC Nanoflake for Toxic Gas-Sensing Applications MT Ahmed, D Roy, AA Roman, S Islam, F Ahmed Langmuir 40 (29), 15332-15352 , 2024 2024 Citations: 46
Density functional theory study of Mobius boron-carbon-nitride as potential CH4, H2S, NH3, COCl2 and CH3OH gas sensor MT Ahmed, S Islam, F Ahmed Royal Society Open Science 9 (11) , 2022 2022 Citations: 38
Structural, optical, and electronic properties of boron nitride incorporated mobius carbon nanoribbon: a DFT calculation MT Ahmed, S Islam, F Ahmed Physica Scripta 98 (3), 035827 , 2023 2023 Citations: 33
Comparative study on the crystallite size and bandgap of perovskite by diverse methods MT Ahmed, S Islam, F Ahmed Advances in Condensed Matter Physics 2022 (1), 9535932 , 2022 2022 Citations: 29
First-principles investigations of As-doped tetragonal boron nitride nanosheets for toxic gas sensing applications K Hossain, MT Ahmed, RA Rabu, F Ahmed Nanoscale Advances 7 (1), 354-369 , 2025 2025 Citations: 27
Synthesis and Characterizations of CH 3 NH 3 PbI 3 : ZnS Microrods for Optoelectronic Applications MT Ahmed, S Islam, MS Bashar, MA Hossain, F Ahmed Advances in Materials Science and Engineering 2022 (1), 7606339 , 2022 2022 Citations: 26
Density Functional Theory Calculations of Tetragonal Graphene Nanobowls for Toxic Heavy Metal Ion Removal from Wastewater MF Mou, M Khatun, D Roy, AA Roman, MT Ahmed ACS Applied Nano Materials 8 (7), 3497-3510 , 2025 2025 Citations: 20
First-principles investigation of hexagonal boron-carbon-nitride (h-BCN) nanosheet (2D) as gas sensor towards toxic gases (CO, H 2 S, PH 3 , SO 2 , and HCN) R Khatun, MT Ahmed, S Islam, MK Hossain, MA Hossain, F Ahmed International Journal of Computational Materials Science and Surface … , 2021 2021 Citations: 20
Investigation of Structural, Electronic, and Optical Properties of Chalcogen‐Doped ZrS 2 : A DFT Analysis S Hasan, MT Ahmed, AA Roman, S Islam, F Ahmed Advances in Materials Science and Engineering 2023 (1), 6525507 , 2023 2023 Citations: 19
A first-principles investigation of Cr adsorption on C 8 and B 4 N 4 nanocages in aqueous mediums MT Ahmed, D Roy, A Al Roman, S Islam, F Ahmed Physical Chemistry Chemical Physics 25 (46), 32261-32272 , 2023 2023 Citations: 18
Density functional theory study of the adsorption and dissociation of OF2 and O3 gases on the surface of pristine and Al, Ti and Cr doped graphene A Talha, FH Shihab, MT Ahmed, A Al Roman, Z Kowser, D Roy AIP Advances 14 (7) , 2024 2024 Citations: 17
A first principles study of RbSnCl 3 perovskite toward NH 3, SO 2, and NO gas sensing MT Ahmed, D Roy, A Al Roman, S Islam, F Ahmed Nanoscale Advances 6 (4), 1218-1226 , 2024 2024 Citations: 16
Impact of N‐Doping on MoSe 2 Monolayer for PH 3 , C 2 N 2, and HN 3 Gas Sensing: A DFT Study M Khatun, MH Rocky, AA Roman, D Roy, MA Badsha, MT Ahmed ChemistryOpen, e202400210 , 2024 2024 Citations: 15
Investigation of optoelectronic, mechanical and thermodynamic properties of cubic perovskite FrBCl3 (B= Zn, Cd) in approach of density functional theory U Bushra, MA Rahman, MT Ahmed, D Roy, MA Badsha Physica B: Condensed Matter 697, 416702 , 2025 2025 Citations: 13
A DFT study on boron carbon nitride and in-plane graphene-boron nitride nanosheets for O3 and F2 gas sensing MH Rocky, M Khatun, A Al Roman, D Roy, MT Ahmed Computational and Theoretical Chemistry 1237, 114639 , 2024 2024 Citations: 13
The effect of double-doped (B, N) on graphene’s N 2 O 4 gas adsorption performance: an ab initio study FH Shihab, A Talha, MT Ahmed, A Al Roman, MM Hasan, D Roy Adsorption 31 (1), 23 , 2025 2025 Citations: 12
Ab initio study of Ti-doped C3N nanosheet as COCl2, O3, and HCN gas sensor R Khatun, MH Rocky, D Roy, A Al Roman, MT Ahmed Computational and Theoretical Chemistry 1239, 114769 , 2024 2024 Citations: 12
The adsorption of CO gas on the surface of boron nitride incorporating 2D carbon allotropes: a DFT analysis MT Ahmed, D Roy, AA Roman, Z Kowser, S Islam, F Ahmed Physica Scripta 99 (6), 0659c7 , 2024 2024 Citations: 12