| 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 | 50 | 2022 |
| Phosphorus-doped T-graphene nanocapsule toward O3 and SO2 gas sensing: a DFT and QTAIM analysis MT Ahmed, AA Roman, D Roy, S Islam, F Ahmed Scientific Reports 14 (1), 3467, 2024 | 18 | 2024 |
| Boron nanocluster as a heavy metal adsorbent in aqueous environment: A DFT Study MK Hossain, D Roy, F Ahmed Journal of Molecular Structure 1237, 130302, 2021 | 18 | 2021 |
| Half-metallic ferromagnetism induced by TM-TM atom pair co-doping in 2D hexagonal boron nitride monolayer: A first principle study D Roy, MK Hossain, SM Hasan, S Khanom, MA Hossain, F Ahmed Materials Science and Engineering: B 271, 115247, 2021 | 16 | 2021 |
| Understanding the atomistic origin of the magnetic phases in Cobalt-TM (V, Nb, Ta, Zr, Hf, W) pair co-doped boron nitride monolayer and the hydrogenation effect D Roy, MK Hossain, SM Hasan, MA Hossain, F Ahmed Physica E: Low-dimensional Systems and Nanostructures 125, 114359, 2021 | 16 | 2021 |
| Density functional theory study of the sensing of ozone gas molecules by using fullerene-like Group-III nitride nanostructures D Roy, MR Hossain, MK Hossain, MA Hossain, F Ahmed Physica B: Condensed Matter 650, 414553, 2023 | 15 | 2023 |
| 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 | 12 | 2024 |
| A first principles study of adsorption of hydrazine on C20, C40 and C60 fullerene nanoclusters S Yeasmin, M Mehade Hasan, AA Oishi, SA Bithe, D Roy, AS Rad Molecular Simulation 49 (6), 551-564, 2023 | 11 | 2023 |
| 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 | 9 | 2023 |
| A first principle study to investigate structural, electronic and optical properties of pristine and valency comparable Co, P decorated graphene like boron nitride (BN) nanosheets Milon, MK Hossain, D Roy, F Ahmed Phase Transitions 95 (12), 837-850, 2022 | 8 | 2022 |
| 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 | 7 | 2024 |
| A first-principles investigation of BF3 and ClF3 gas sensing on N-defected AlN nanosheets IJ Tonny, M Khatun, D Roy, AA Roman, MT Ahmed AIP advances 14 (4), 2024 | 6 | 2024 |
| Adsorption behavior of hydrogen selenide gas on the surfaces of pristine and Ni-doped X12Y12 (X=Al, B and Y=N, P) nano-cages: a first-principles study A Das, P Dhali, AA Oishi, D Roy, AS Rad, MM Hasan Structural Chemistry 34 (4), 1439-1456, 2023 | 6 | 2023 |
| A DFT and QTAIM insight into ethylene oxide adsorption on the surfaces of pure and metal-decorated inorganic fullerene-like nanoclusters P Dhali, AA Oishi, A Das, MR Hossain, F Ahmed, D Roy, MM Hasan Heliyon 9 (9), 2023 | 5 | 2023 |
| To understand the miglitol adsorption behavior on BC3, BN, and GNS nanosheets using DFT and QTAIM analysis for drug delivery applications SA Bithe, M Hasan, AA Oishi, P Dhali, D Roy Physica Scripta 98 (7), 075010, 2023 | 5 | 2023 |
| 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 | 4 | 2024 |
| The adsorption of CO gas on the surface of boron nitride incorporating 2D carbon allotropes: a DFT analysis MT Ahmed, D Roy, A Al Roman, Z Kowser, S Islam, F Ahmed Physica Scripta 99 (6), 0659c7, 2024 | 4 | 2024 |
| 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 | 3 | 2024 |
| To Examine the Adsorption Behavior and Dissociation of Hydrogen Selenide (H2Se) Gas on Pristine and Transition‐Metal (Fe, Mn)‐Doped Boron Nitride … A Talha, P Rahman, A Tasnim, MT Ahmed, AA Roman, D Roy ChemistrySelect 9 (43), e202401651, 2024 | 2 | 2024 |
| A first principle investigation of the CO gas adsorption property of pristine, cobalt (Co), and phosphorus (P) doped BN nanosheets D Roy, F Ahmed Physica B: Condensed Matter 680, 415839, 2024 | 2 | 2024 |
Dr. Farid AhmedProfessor of Physics, Jahangirnagar UniversityGeverifieerd e-mailadres voor juniv.edu