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Author

Abdullah Al Roman

ORCID: 0000-0002-5181-5686
Observed ORCID: 0000-0002-5181-5686
OpenAlex ID: A5003893326
Phosphorus-doped T-graphene nanocapsule toward O3 and SO2 gas sensing: a DFT and QTAIM analysis
2024 · Mohammad Tanvir Ahmed, Abdullah Al Roman, et al. · Scientific Reports · 78
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Ab Initio Study of the Graphyne-like γ-SiC Nanoflake for Toxic Gas-Sensing Applications
2024 · Mohammad Tanvir Ahmed, Debashis Roy, et al. · Langmuir · 54
Development of high-performance ScS2 monolayer as cathode material: A DFT analysis
2022 · Abdullah Al Roman, M Mahbubur Rahman, et al. · Solid State Communications · 30
Density Functional Theory Calculations of Tetragonal Graphene Nanobowls for Toxic Heavy Metal Ion Removal from Wastewater
2025 · Mohsina Faria Mou, Mim Khatun, et al. · ACS Applied Nano Materials · 27
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
2024 · Abu Talha, Fatin Hasnat Shihab, et al. · AIP Advances · 22
A DFT study on boron carbon nitride and in-plane graphene-boron nitride nanosheets for O3 and F2 gas sensing
2024 · Mahabub Hasan Rocky, Mim Khatun, et al. · Computational and Theoretical Chemistry · 22
Investigation of Structural, Electronic, and Optical Properties of Chalcogen-Doped ZrS2: A DFT Analysis
2023 · Sayedul Hasan, Mohammad Tanvir Ahmed, et al. · Advances in Materials Science and Engineering · 21
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Impact of N‐Doping on MoSe2 Monolayer for PH3, C2N2, and HN3 Gas Sensing: A DFT Study
2024 · Mim Khatun, Mahabub Hasan Rocky, et al. · ChemistryOpen · 19
A first principles study of RbSnCl 3 perovskite toward NH 3 , SO 2 , and NO gas sensing
2024 · Mohammad Tanvir Ahmed, Debashis Roy, et al. · Nanoscale Advances · 18
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A first-principles investigation of Cr adsorption on C 8 and B 4 N 4 nanocages in aqueous mediums
2023 · Mohammad Tanvir Ahmed, Debashis Roy, et al. · Physical Chemistry Chemical Physics · 17
Ab initio study of Ti-doped C3N nanosheet as COCl2, O3, and HCN gas sensor
2024 · Rahima Khatun, Mahabub Hasan Rocky, et al. · Computational and Theoretical Chemistry · 16
The adsorption of CO gas on the surface of boron nitride incorporating 2D carbon allotropes: a DFT analysis
2024 · Mohammad Tanvir Ahmed, Debashis Roy, et al. · Physica Scripta · 15
An ab initio study of S-doped penta-graphene for oxygen-based toxic gas sensing application
2025 · Mahabub Hasan Rocky, Fatin Hasnat Shihab, et al. · Materials Chemistry and Physics · 14
A first-principles investigation of structural, thermodynamic, electronic, and optical properties of doped 2D ZrNI monolayer
2024 · Abdullah Al Roman, Hind Adawi, et al. · Materials Chemistry and Physics · 14
Adsorption behavior of the blue phosphorene monolayer, doped with Ti and Cr, for CO2 and SO3 gases: A first-principles analysis
2025 · Md. Hasan Shahria Fahim, Abu Talha, et al. · Surfaces and Interfaces · 13
Al and Ti-doped black phosphorus as sensitive materials for adsorption of HF and H 2 S toxic gases: an ab initio study
2025 · Rashek Dewan Daymond, Fatin Hasnat Shihab, et al. · RSC Advances · 13
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To Examine the Adsorption Behavior and Dissociation of Hydrogen Selenide (H 2 Se) Gas on Pristine and Transition‐Metal (Fe, Mn)‐Doped Boron Nitride Nanosheets: A DFT Study
2024 · Abu Talha, Provati Rahman, et al. · ChemistrySelect · 13
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Ab Initio Study of Ge-doped Boron Carbon Nitride Nanosheet for CH2O and CNCl Gas Sensing
2025 · Mahabub Hasan Rocky, Fatin Hasnat Shihab, et al. · Diamond and Related Materials · 11
B4C4 nanocluster ring for toxic heavy metal ion adsorption from wastewater: A DFT study
2025 · Fatin Hasnat Shihab, Mohsina Faria Mou, et al. · Journal of Physics and Chemistry of Solids · 11
C 3 B 2 Quantum Dot: A Potential Candidate for Heavy Metal Ion Detection and Removal in Wastewater Treatment
2025 · Mohammad Tanvir Ahmed, Debashis Roy, et al. · Langmuir · 11
A first-principles investigation of BF3 and ClF3 gas sensing on N-defected AlN nanosheets
2024 · Ishrat Jahan Tonny, Mim Khatun, et al. · AIP Advances · 11
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The effect of double-doped (B, N) on graphene’s N2O4 gas adsorption performance: an ab initio study
2024 · Fatin Hasnat Shihab, Abu Talha, et al. · Adsorption · 9
Exploring tetragonal aluminum nitride (T‑AlN) nanosheets for CO, CO2, NO, NO2, and SO2 gas sensing: insights from first-principles calculations
2026 · Abu Talha, Fatin Hasnat Shihab, et al. · Journal of Materials Science · 6
Unveiling gas sensing potential of novel T-AlN nanosheet toward toxic halogen and interhalogen gases: A DFT-based study
2026 · Provati Rahman, Abu Talha, et al. · Chemical Physics · 3
Designing hydrogenated graphene (H_C) for detecting HCN, HN3, ClO2 and O3 toxic gas molecules
2026 · Kaniz Fatema Riea, Utso Jyoti Golder, et al. · Physica E Low-dimensional Systems and Nanostructures · 3
Works count: 37
Citation count: 486
H-index: 14
I10-index: 21
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