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Bohayra Mortazavi

Bauhaus University, Weimar
Leibniz University of Hanover
University of Strasbourg

170

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5124

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Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials

2022 Carbon
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Comment on ‘MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties’

2022 Journal of Physics D
- Bohayra Mortazavi
- Suman Chowdhury
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Molecular Junctions Enhancing Thermal Transport within Graphene Polymer Nanocomposite: A Molecular Dynamics Study

2021 Nanomaterials
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Machine learning assisted multiscale modeling of composite phase change materials for Li-ion batteries thermal management

2021 arXiv: Computational Physics
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Ab initio prediction of semiconductivity in a novel two-dimensional Sb 2 X 3 (X= S, Se, Te) monolayers with orthorhombic structure

2021 Scientific Reports
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Ultrahigh stiffness and anisotropic Dirac cones in BeN4 and MgN4 monolayers: A first-principles study.

2021 arXiv: Materials Science
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Nanopore creation in MoS2 and graphene monolayers by nanoparticles impact: a reactive molecular dynamics study

2021 Applied Physics A
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Ultrahigh thermal conductivity and strength in direct-gap semiconducting graphene-like BC6N: A first-principles and classical investigation

2021 Carbon
- Bohayra Mortazavi
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Exploring tensile piezoelectricity and bending flexoelectricity of diamane monolayers by machine learning

2021 Carbon
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Silicon diphosphide (SiP2) and silicon diarsenide (SiAs2): Novel stable 2D semiconductors with high carrier mobilities, promising for water splitting photocatalysts

2021 arXiv: Materials Science
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