Effect of oxygen defects in tuning the half-metallic and optical nature of Sr2CoXO6 (X= Mo & W): A first-principles study P Mondal, NA Shahed, S Khanom, MK Hossain, F Ahmed Materials Chemistry and Physics 277, 125429, 2022 | 12 | 2022 |
An ab initio insight into the structural, physical, thermodynamic and optoelectronic properties of superconducting Heusler-like LiGa2Rh P Mondal, S Khanom, NA Shahed, MK Hossain, F Ahmed Physica C: Superconductivity and its Applications 603, 1354142, 2022 | 10 | 2022 |
T-BN nanosheets as high-capacity anode for Li-and Na-ion batteries: An ab initio study F Nazneen, P Mondal, NA Shahed, S Khanom, MK Hossain, F Ahmed Computational and Theoretical Chemistry 1224, 114105, 2023 | 8 | 2023 |
First-principles calculations to investigate effect of uniaxial stress on optical and magnetic properties of Sr2XWO6 (X= Fe, Co & Ni) P Mondal, NA Shahed, S Khanom, MK Hossain, F Ahmed Materials Science and Engineering: B 298, 116875, 2023 | 5 | 2023 |
First-principles calculations to investigate structural, elastic, thermodynamic, electronic, and optical properties of AgXCl3 (X= Fe, Co & Mn) P Mondal, K Hossain, MS Khanom, MK Hossain, F Ahmed Computational Condensed Matter 37, e00860, 2023 | 4 | 2023 |
Nanoscale Synergy: Unveiling Gas Sensing Paradigms Through First Principles Exploration of Vertical Hexagonal Boron Nitride/Graphene Heterostructures P Mondal, MS Khanom, F Ahmed physica status solidi (b), 2400246, 2025 | | 2025 |
The Impact of Hydrostatic Pressure on the Structural, Mechanical, Thermal, and Optoelectronic Characteristics of the RbV3Sb5 Kagome Compound: Ab initio … P Mondal, MR Islam, MS Khanom, F Ahmed ChemistryOpen, e202400291, 2024 | | 2024 |
Comparison of Properties of Perovskite Solar Cell Material CsPbI3: A First Principal Study P Mondal, AKM Shahabuddin, DM Saaduzzaman, S Khanom, F Ahmed | | |