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Bohayra Mortazavi

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Papers (33)

  1. Data-Driven Thermal and Mechanical Modeling of Defective Covalent Organic Frameworks cond-mat.mtrl-sci · 2026 · author #4
  2. Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC$_3$ and BC$_6$N semiconductors cond-mat.mtrl-sci · 2019 · author #1
  3. Theoretical realization of two-dimensional M3(C6X6)2(M= Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X= O, S, Se) metal-organic frameworks cond-mat.mes-hall · 2019 · author #1
  4. Nanoporous graphene: a 2D semiconductor with anisotropic mechanical, optical and thermal conduction properties cond-mat.mes-hall · 2019 · author #1
  5. Thermal bridging of graphene nanosheets via covalent molecular junctions. a Non-Equilibrium Green Functions Density Functional Tight-Binding study cond-mat.mes-hall · 2019 · author #7
  6. Theoretical Investigation: 2D N-Graphdiyne Nanosheets as Promising Anode Materials for Li/Na Rechargeable Storage Devices physics.comp-ph · 2018 · author #2
  7. First-principles investigation of Ag-, Co-, Cr-, Cu-, Fe-, Mn-, Ni-, Pd- and Rh-hexaaminobenzene 2D metal-organic frameworks physics.comp-ph · 2018 · author #1
  8. N-, P-, As-triphenylene-graphdiyne: Strong and stable 2D semiconductors with outstanding capacities as anodes for Li-ion batteries physics.comp-ph · 2018 · author #1
  9. Anisotropic mechanical properties and strain tuneable band-gap in single-layer SiP, SiAs, GeP and GeAs physics.comp-ph · 2018 · author #1
  10. Hydrogenation and defect formation control the strength and ductility of MoS2 nanosheets: Reactive molecular dynamics simulation physics.comp-ph · 2018 · author #2
  11. Boron-graphdiyne: superstretchable semiconductor with low thermal conductivity and ultrahigh capacity for Li, Na and Ca ions storage physics.comp-ph · 2018 · author #1
  12. N-Graphdiyne two-dimensional nanomaterials: Semiconductors with low thermal conductivity and high stretchability physics.comp-ph · 2018 · author #1
  13. 2D Hydrogenated graphene-like borophene as a high capacity anode material for improved Li/Na ion batteries: A first principles study physics.app-ph · 2018 · author #2
  14. Mechanical responses of two-dimensional MoTe2; pristine 2H, 1T and 1T' and 1T'/2H heterostructure physics.comp-ph · 2018 · author #1
  15. Borophene hydride: a stiff 2D material with high thermal conductivity and attractive optical and electronic properties physics.comp-ph · 2018 · author #1
  16. Edge-Grafted Molecular Junctions between Graphene Nanoplatelets: Applied Chemistry to Enhance Heat Transfer in Nanomaterials cond-mat.mtrl-sci · 2018 · author #5
  17. Carbon ene-yne graphyne monolayer as an outstanding anode material for Li/Naion batteries cond-mat.mtrl-sci · 2018 · author #2
  18. Mechanical, optoelectronic and transport properties of single-layer Ca2N and Sr2N electrides physics.comp-ph · 2018 · author #1
  19. Theoretical realization of Mo2P, a novel stable 2D material with superionic conductivity and attractive optical properties cond-mat.mtrl-sci · 2017 · author #1
  20. Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C3N physics.comp-ph · 2017 · author #2
  21. Electronic, optical and thermal properties of highly stretchable 2D carbon Ene-yne graphyne cond-mat.mtrl-sci · 2017 · author #1
  22. Graphene or h-BN paraffin composite structures for the thermal management of Li-ion batteries: A multiscale investigation physics.comp-ph · 2017 · author #1
  23. Anomalous strain effect on the thermal conductivity of borophene: a reactive molecular dynamics study cond-mat.mtrl-sci · 2017 · author #1
  24. Flat borophene films as anode materials for Mg, Na or Li-ion batteries with ultra high capacities: A first-principles study physics.comp-ph · 2017 · author #1
  25. Ultra high stiffness and thermal conductivity of graphene like C3N physics.comp-ph · 2017 · author #1
  26. Thermal and electronic transport characteristics of highly stretchable graphene kirigami cond-mat.mes-hall · 2017 · author #1
  27. Anisotropic thermal conductivity and mechanical properties of phagraphene: A molecular dynamics study cond-mat.mtrl-sci · 2017 · author #2
  28. Thermal Conductivity and Mechanical Properties of Nitrogenated Holey Graphene cond-mat.mtrl-sci · 2017 · author #1
  29. A first-principles study on the effect of oxygen content on the structural and electronic properties of silicon suboxide as anode material for Lithium Ion Batteries cond-mat.mtrl-sci · 2017 · author #2
  30. A Structural Insight into Mechanical Strength of Graphene-like Carbon and Carbon Nitride Networks cond-mat.mtrl-sci · 2017 · author #2
  31. Metamorphosis in Carbon Network: From Penta-Graphene to Biphenylene under Uniaxial Tension cond-mat.mtrl-sci · 2017 · author #2
  32. Mechanical properties of borophene films: A reactive molecular dynamics investigation cond-mat.mtrl-sci · 2017 · author #2
  33. Strong thermal transport along polycrystalline transition metal dichalcogenides revealed by multiscale modelling for MoS2 cond-mat.mtrl-sci · 2017 · author #1

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