Bohayra Mortazavi

Overview

Best Publications

• Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles

  Bohayra Mortazavi;Brahmanandam Javvaji;Fazel Shojaei;Timon Rabczuk

  571
  Citations

• Thermal conductivity and tensile response of defective graphene: A molecular dynamics study

  Bohayra Mortazavi;Saïd Ahzi;Saïd Ahzi

  336
  Citations

• Application of silicene, germanene and stanene for Na or Li ion storage: A theoretical investigation

  Bohayra Mortazavi;Arezoo Dianat;Gianaurelio Cuniberti;Timon Rabczuk

  325
  Citations

• First-Principles Multiscale Modeling of Mechanical Properties in Graphene/Borophene Heterostructures Empowered by Machine-Learning Interatomic Potentials.

  Bohayra Mortazavi;Mohammad Silani;Evgeny V. Podryabinkin;Timon Rabczuk

  316
  Citations

• Machine-learning interatomic potentials enable first-principles multiscale modeling of lattice thermal conductivity in graphene/borophene heterostructures

  Bohayra Mortazavi;Evgeny V. Podryabinkin;Stephan Roche;Stephan Roche;Timon Rabczuk

  315
  Citations

• Exploring Phononic Properties of Two-Dimensional Materials using Machine Learning Interatomic Potentials

  Bohayra Mortazavi;Ivan S. Novikov;Ivan S. Novikov;Evgeny V. Podryabinkin;Stephan Roche

  290
  Citations

• Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study

  Bohayra Mortazavi;Arezoo Dianat;Obaidur Rahaman;Gianaurelio Cuniberti

  286
  Citations

• Ultra high stiffness and thermal conductivity of graphene like C3N

  Bohayra Mortazavi

  282
  Citations

• First-principles investigation of mechanical properties of silicene, germanene and stanene

  Bohayra Mortazavi;Obaidur Rahaman;Meysam Makaremi;Arezoo Dianat

  246
  Citations

• Modeling of two-phase random composite materials by finite element, Mori–Tanaka and strong contrast methods

  Bohayra Mortazavi;Majid Baniassadi;Majid Baniassadi;Julien Bardon;Said Ahzi;Said Ahzi

  222
  Citations

• Interphase effect on the elastic and thermal conductivity response of polymer nanocomposite materials: 3D finite element study

  Bohayra Mortazavi;Julien Bardon;Said Ahzi;Said Ahzi

  197
  Citations

• Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution

  Bohayra Mortazavi;Evgeny V. Podryabinkin;Ivan S. Novikov;Ivan S. Novikov;Timon Rabczuk

  197
  Citations

• Mechanical responses of borophene sheets: a first-principles study.

  Bohayra Mortazavi;Obaidur Rahaman;Arezoo Dianat;Timon Rabczuk

  197
  Citations

• Combined molecular dynamics-finite element multiscale modeling of thermal conduction in graphene epoxy nanocomposites

  Bohayra Mortazavi;Olivier Benzerara;Hendrik Meyer;Julien Bardon

  171
  Citations

• Graphene or h-BN paraffin composite structures for the thermal management of Li-ion batteries: A multiscale investigation

  Bohayra Mortazavi;Hongliu Yang;Farzad Mohebbi;Gianaurelio Cuniberti

  170
  Citations

• Flat borophene films as anode materials for Mg, Na or Li-ion batteries with ultra high capacities: A first-principles study

  Bohayra Mortazavi;Obaidur Rahaman;Said Ahzi;Timon Rabczuk

  170
  Citations

• Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors

  Bohayra Mortazavi;Bohayra Mortazavi;Masoud Shahrokhi;Mostafa Raeisi;Xiaoying Zhuang

  164
  Citations

• Thermal conductivity and mechanical properties of nitrogenated holey graphene

  Bohayra Mortazavi;Obaidur Rahaman;Timon Rabczuk;Luiz Felipe C. Pereira

  146
  Citations

• Borophene hydride: a stiff 2D material with high thermal conductivity and attractive optical and electronic properties.

  Bohayra Mortazavi;Meysam Makaremi;Masoud Shahrokhi;Mostafa Raeisi

  145
  Citations

• Nanoporous C3N4, C3N5 and C3N6 nanosheets; novel strong semiconductors with low thermal conductivities and appealing optical/electronic properties

  Bohayra Mortazavi;Fazel Shojaei;Masoud Shahrokhi;Maryam Azizi

  144
  Citations

• Investigation of tensile response and thermal conductivity of boron-nitride nanosheets using molecular dynamics simulations

  Bohayra Mortazavi;Yves Rémond

  142
  Citations

• Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C3N

  Meysam Makaremi;Bohayra Mortazavi;Chandra Veer Singh

  140
  Citations

• Enhancement in hydrogen storage capacities of light metal functionalized Boron–Graphdiyne nanosheets

  Tanveer Hussain;Bohayra Mortazavi;Hyeonhu Bae;Timon Rabczuk

  140
  Citations

• Flat borophene films as anode materials for Mg, Na or Li-ion batteries with ultra high capacities: A first-principles study

  Bohayra Mortazavi;Obaidur Rahaman;Said Ahzi;Timon Rabczuk

  81
  Citations