Google Scholar Research Interests Computational Material Science Artificial Intelligence for Materials Science Defect in Semiconductors Positions Professor of Condensed Matter Physics Office Department of Physics, Isfahan University of Technology Phone 0098-31-3391-3732 type: Journal Title DOI type Date Adsorption behavior of hydrogen sulfide in the channels of Li-ABW zeolite: A study using density functional theory 10.1016/j.jmgm.2024.108765 Journal 2024-04 First-principles calculations of the structural and optoelectronic properties of honeycomb borophene: strain and many-body effects 10.1140/epjp/s13360-024-05166-3 Journal 2024-04 Driven charge density modulation by spin density wave and their coexistence interplay in SmFeAsO: A first-principles study 10.1016/j.physb.2023.415603 Journal 2024-02 Statistical analysis of the performance of a variety of first-principles schemes for accurate prediction of binary semiconductor band gaps 10.1063/5.0138775 Journal 2023-05 Topological properties of MoP1-xNx (x = 0, 0.25, 0.5, 0.75, 1) compounds: A density functional approach 10.1016/j.physb.2023.414695 Journal 2023-04 Role of the band-gap parameter in the characterization of Landau levels in a gapped-phase semi-Dirac system: Monolayer phosphorene 10.1103/PhysRevB.107.125417 Journal 2023-03 Novel first-principles insights into graphene fluorination 10.1063/5.0091279 Journal 2022-08 Prediction of novel two-dimensional Dirac nodal line semimetals in Al<sub>2</sub>B<sub>2</sub> and AlB<sub>4</sub> monolayers 10.1039/D2NR00888B Journal 2022-06 Decrypting the photocatalytic bacterial inactivation of hierarchical flower-like Bi2WO6 microspheres induced by surface properties: Experimental studies and ab initio calculations 10.1016/j.cej.2021.131768 Journal 2022-01 First-Principles Investigation of CH4 Adsorption on a Singly and Doubly Decorated (8,0) Single Wall Carbon Nanotube With Palladium/Oxygen Species 10.1109/ACCESS.2021.3107844 Journal 2021-08
