625 citations · 3k across the 45 of their papers we have counts for
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Theoretical realization of Mo2P, a novel stable 2D material with superionic conductivity and attractive optical properties
Bohayra Mortazavi, Masoud Shahrokhi, Meysam Makaremi +1
Mo2P as a new member of the advancing two-dimensional (2D) materials family has been theoretically identified in this study. We conducted extensive density functional theory calcul…
Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C3N
Meysam Makaremi, Bohayra Mortazavi, Chandra Veer Singh
Two-dimensional polyaniline with a C3N stoichiometry, is a newly fabricated material that has expected to possess fascinating electronic, thermal, mechanical and chemical propertie…
Electronic, optical and thermal properties of highly stretchable 2D carbon Ene-yne graphyne
Bohayra Mortazavi, Masoud Shahrokhi, Timon Rabczuk +1
Recently, a new carbon-based two-dimensional (2D) material, so called "carbon Ene-yne" (CEY), was successfully synthesized. In this work, we examine electronic, optical and thermal…
Graphene or h-BN paraffin composite structures for the thermal management of Li-ion batteries: A multiscale investigation
Bohayra Mortazavi, Hongliu Yang, Farzad Mohebbi +2
The reliability and safety of lithium-ion batteries can be affected by overheating issues. Phase change materials like paraffin due to their large heat capacities are among the bes…
Record Low Thermal Conductivity of Polycrystalline MoS2 films: Tuning the Thermal Conductivity by Grain Orientation
M. Sledzinska, R. Quey, B. Mortazavi +8
We report a record low thermal conductivity in polycrystalline MoS2 obtained by varying grain sizes and orientations in ultrathin films. By optimizing the sulphurisation parameters…
Anomalous strain effect on the thermal conductivity of borophene: a reactive molecular dynamics study
Bohayra Mortazavi, Minh-Quy Le, Timon Rabczuk +1
Borophene, an atomically thin, corrugated, crystalline two-dimensional boron sheet, has been recently synthesized. We investigate mechanical properties and lattice thermal conducti…