625 citations · 2.9k across the 37 of their papers we have counts for
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Machine learning assisted multiscale modeling of composite phase change materials for Li-ion batteries thermal management
Felix Kolodziejczyk, Bohayra Mortazavi, Timon Rabczuk +1
In this work, we develop a combined convolutional neural networks (CNNs) and finite element method (FEM) to examine the effective thermal properties of composite phase change mater…
Nanoporous C3N4, C3N5 and C3N6 nanosheets; Novel strong semiconductors with low thermal conductivities and appealing optical/electronic properties
Bohayra Mortazavi, Fazel Shojaei, Masoud Shahrokhi +4
Carbon nitride two-dimensional (2D) materials are among the most attractive class of nanomaterials, with wide range of application prospects. As a continuous progress, most recentl…
As2S3, As2Se3 and As2Te3 nanosheets: Superstretchable semiconductors with anisotropic carrier mobilities and optical properties
Bohayra Mortazavi, Fazel Shojaei, Maryam Azizi +2
In this work, density functional theory calculations were carried out to explore the mechanical response, dynamical/thermal stability, electronic/optical properties and photocataly…
Prediction of C7N6 and C9N4: Stable and strong porous carbon-nitride nanosheets with attractive electronic and optical properties
Bohayra Mortazavi, Masoud Shahrokhi, Alexander V Shapeev +2
In this work, three novel porous carbon-nitride nanosheets with C7N6, C9N4 and C10N3 stoichiometries are predicted. First-principles simulations were accordingly employed to evalua…
N-, B-, P-, Al-, As-, Ga-graphdiyne/graphyne lattices: First-principles investigation of mechanical, optical and electronic properties
B. Mortazavi, M. Shahrokhi, M. E. Madjet +3
Graphdiyne and graphyne are carbon-based two-dimensional (2D) porous atomic lattices, with outstanding physics and excellent application prospects for advanced technologies, like n…
Theoretical Investigation: 2D N-Graphdiyne Nanosheets as Promising Anode Materials for Li/Na Rechargeable Storage Devices
Meysam Makaremi, Bohayra Mortazavi, Timon Rabczuk +2
N-graphdiyne monolayers, a set of carbon-nitride nanosheets, have been synthesized recently through the polymerization of triazine- and pyrazine-based monomers. Since the two-dimen…