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Lattice Thermal Conductivity of 2D Nanomaterials: A Simple Semi-Empirical Approach
R. M. Tromer, I. M. Felix, L. F. C. Pereira +3
Extracting reliable information on certain physical properties of materials, like thermal behavior, such as thermal transport, which can be very computationally demanding. Aiming t…
Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC and BCN semiconductors
Bohayra Mortazavi, Masoud Shahrokhi, Mostafa Raeisi +3
Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene, polyaniline carbon-nitride (CN) and boron-carbide (BC) exhibit exceptional physical prop…
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…
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…
Anisotropic thermal conductivity and mechanical properties of phagraphene: A molecular dynamics study
Luiz Felipe C. Pereira, Bohayra Mortazavi, Meysam Makaremi +1
Phagraphene is a novel 2D carbon allotrope with interesting electronic properties which has been recently theoretically proposed. Phagraphene is similar to a defective graphene str…
Thermal Conductivity and Mechanical Properties of Nitrogenated Holey Graphene
Bohayra Mortazavi, Obaidur Rahaman, Timon Rabczuk +1
Nitrogenated holey graphene (NHG), a two-dimensional graphene-derived material with a C2N stoichiometry and evenly distributed holes and nitrogen atoms in its basal plane, has rece…