| An ab initio study of the B35 boron nanocluster for application as atmospheric gas (NO, NO2, N2O, NH3) sensor MA Hossain, MR Hossain, MK Hossain, JI Khandaker, F Ahmed, ... Chemical Physics Letters 754, 137701, 2020 | 65 | 2020 |
| 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 | 50 | 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 | 50 | 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 | 50 | 2020 |
| 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 | 49 | 2022 |
| 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 | 49 | 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 | 40 | 2021 |
| Extraction, optical properties, and aging studies of natural pigments of various flower plants SM Amir-Al Zumahi, N Arobi, H Taha, MK Hossain, H Kabir, R Matin, ... Heliyon 6 (9), 2020 | 37 | 2020 |
| 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 | 32 | 2022 |
| The computational quantum mechanical investigation of the functionalized boron nitride nanocage as the smart carriers for favipiravir drug delivery: a DFT and QTAIM analysis MM Hasan, AC Das, MR Hossain, MK Hossain, MA Hossain, B Neher, ... Journal of Biomolecular Structure and Dynamics 40 (23), 13190-13206, 2022 | 30 | 2022 |
| Understanding the optical behaviours and the power conversion efficiency of novel organic dye and nanostructured TiO2 based integrated DSSCs SM Amir-Al Zumahi, N Arobi, MM Rahman, MK Hossain, MAJ Rozy, ... Solar Energy 225, 129-147, 2021 | 30 | 2021 |
| First-principles study on structural, mechanical and optoelectronic properties of lead-free mixed Ge–Sn hybrid organic-inorganic perovskites K Hossain, S Khanom, F Israt, MK Hossain, MA Hossain, F Ahmed Solid State Communications 320, 114024, 2020 | 27 | 2020 |
| 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 | 27 | 2020 |
| Effect of oxygen deficiency on optical and magnetic properties of Ba2MMoO6 (M= Cr, Mn, Fe): A first-principles study NA Shahed, M Nishat, S Khanom, MK Hossain, MA Hossain, F Ahmed Computational Condensed Matter 23, e00464, 2020 | 20 | 2020 |
| Role of metal and anions in organo-metal halide perovskites CH 3 NH 3 MX 3 (M: Cu, Zn, Ga, Ge, Sn, Pb; X: Cl, Br, I) on structural and optoelectronic properties for … M Nishat, MK Hossain, MR Hossain, S Khanom, F Ahmed, MA Hossain RSC advances 12 (21), 13281-13294, 2022 | 18 | 2022 |
| 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 |
| Interaction of Anagrelide drug molecule on pristine and doped boron nitride nanocages: a DFT, RDG, PCM and QTAIM investigation M Nishat, MR Hossain, MM Hasan, MK Hossain, MA Hossain, F Ahmed Journal of Biomolecular Structure and Dynamics 41 (8), 3413-3429, 2023 | 15 | 2023 |
| 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 |
Dr. Farid AhmedProfessor of Physics, Jahangirnagar UniversityGeverifieerd e-mailadres voor juniv.edu