Dr S. Javad Hashemifar

hashemifar@iut.ac.ir

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Office

Department of Physics, Isfahan University of Technology

Phone

0098-31-3391-3732

Fax

0098-31-3391-2376

Research Interests

Computational Material Science

Artificial Intelligence for Materials Science

Defect in Semiconductors

Journal Papers

Title	DOI	type
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
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
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
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
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
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
Novel first-principles insights into graphene fluorination	10.1063/5.0091279	Journal
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
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
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