Dr S. Javad Hashemifar

hashemifar@iut.ac.ir

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

type: Journal
Title	DOI	Year	Month	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	1403	01	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	1403	01	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	1402	11	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	1402	02	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	1401	12	Journal
Novel first-principles insights into graphene fluorination	10.1063/5.0091279	1401	05	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	1401	03	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	1400	10	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	1400	05	Journal
Ab initio calculation of structural, electronic, and optical properties of TlxGa1-xAs ternary alloys	10.1016/j.cocom.2020.e00505	1399	09	Journal