Bohayra Mortazavi

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Timon RabczukBauhaus University WeimarVerified email at uni-weimar.de
Xiaoying ZhuangERC Project Awardee, Leibniz University HanoverVerified email at iop.uni-hannover.de
Masoud ShahrokhiResearcherVerified email at umontpellier.fr
Alexander ShapeevSkolkovo Institute of Science and TechnologyVerified email at shapeev.com
Said AhziUniversité de StrasbourgVerified email at unistra.fr
Fazel ShojaeiAssistant Professor of Physical Chemistry, Persian Gulf UniversityVerified email at pgu.ac.ir
Gianaurelio (Giovanni) CunibertiTU Dresden; https://ORCID.org/0000-0002-6574-7848Verified email at tu-dresden.de
Meysam MakaremiUniversity of PittsburghVerified email at pitt.edu
Luiz Felipe Cavalcanti PereiraUniversidade Federal de Pernambuco, on sabbatical at Sapienza Università di RomaVerified email at ufpe.br
Obaidur RahamanCovestroVerified email at COVESTRO.COM
Arezoo DianatDresden University of TechnologyVerified email at tu-dresden.de
Evgeny PodryabinkinSkolkovo Institute of Science and TechnologyVerified email at skoltech.ru
Brahmanandam JavvajiPostdoc Scientific Coworker, Chair of Computational Science and Simulation Technology, Insisute ofVerified email at iop.uni-hannover.de
Yves RémondProfesseur émérite de mécanique, ECPM, Icube, université de Strasbourg, CNRSVerified email at unistra.fr
Stephan RocheICREA Research Professor, Catalan Institute of Nanoscience and NanotechnologyVerified email at icn2.cat
Ali RajabpourIKIU & IPMVerified email at univ-lyon1.fr
Chandra Veer SinghProfessor of Materials Science & Engineering; University of TorontoVerified email at utoronto.ca
Ivan NovikovSenior Research Scientist, Skolkovo Institute of Science and TechnologyVerified email at skoltech.ru
Valérie ToniazzoLuxembourg Institute of Science and TechnologyVerified email at list.lu
Maryam AziziInstitute of Condensed Matter and Nanosciences (IMCN), Université catholique de Louvain (UCLouvain)Verified email at uclouvain.be

Bohayra Mortazavi

Leibniz Universität Hannover

Verified email at iop.uni-hannover.de

Multiscale modeling Energy storage/conversion Advanced materials Machine learning


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Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles B Mortazavi, B Javvaji, F Shojaei, T Rabczuk, AV Shapeev, X Zhuang Nano Energy 82, 105716, 2021	426	2021
Thermal conductivity and tensile response of defective graphene: A molecular dynamics study B Mortazavi, S Ahzi Carbon 63, 460-470, 2013	309	2013
Application of silicene, germanene and stanene for Na or Li ion storage: A theoretical investigation B Mortazavi, A Dianat, G Cuniberti, T Rabczuk Electrochimica Acta 213, 865-870, 2016	291	2016
Ultra high stiffness and thermal conductivity of graphene like C₃N B Mortazavi Carbon 118, 25-34, 2017	262	2017
Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study B Mortazavi, A Dianat, O Rahaman, G Cuniberti, T Rabczuk Journal of Power Sources 329, 456-461, 2016	247	2016
First‐Principles Multiscale Modeling of Mechanical Properties in Graphene/Borophene Heterostructures Empowered by Machine‐Learning Interatomic Potentials B Mortazavi, M Silani, EV Podryabinkin, T Rabczuk, X Zhuang, ... Advanced Materials 33 (35), 2102807, 2021	228	2021
First-principles investigation of mechanical properties of silicene, germanene and stanene B Mortazavi, O Rahaman, M Makaremi, A Dianat, G Cuniberti, T Rabczuk Physica E: Low-dimensional Systems and Nanostructures 87, 228-232, 2017	211	2017
Modeling of two-phase random composite materials by finite element, Mori-Tanaka and strong contrast methods B Mortazavi, M Baniassadi, J Bardon, S Ahzi Composites Part B: Engineering 45 (1), 1117–1125, 2013	209	2013
Interphase effect on the elastic and thermal conductivity response of polymer nanocomposite materials: 3D finite element study B Mortazavi, J Bardon, S Ahzi Computational Materials Science 69, 100-106, 2013	189	2013
Exploring phononic properties of two-dimensional materials using machine learning interatomic potentials B Mortazavi, IS Novikov, EV Podryabinkin, S Roche, T Rabczuk, ... Applied Materials Today 20, 100685, 2020	173	2020
Combined molecular dynamics-finite element multiscale modeling of thermal conduction in graphene epoxy nanocomposites B Mortazavi, O Benzerara, H Meyer, J Bardon, S Ahzi Carbon 60, 356–365, 2013	167	2013
Machine-learning interatomic potentials enable first-principles multiscale modeling of lattice thermal conductivity in graphene/borophene heterostructures B Mortazavi, EV Podryabinkin, S Roche, T Rabczuk, X Zhuang, ... Materials Horizons 7, 2359-2367, 2020	164	2020
Mechanical responses of borophene sheets: a first-principles study B Mortazavi, O Rahaman, A Dianat, T Rabczuk Physical Chemistry Chemical Physics 18 (39), 27405-27413, 2016	164	2016
Graphene or h-BN paraffin composite structures for the thermal management of Li-ion batteries: A multiscale investigation B Mortazavi, H Yang, F Mohebbi, G Cuniberti, T Rabczuk Applied Energy 202, 323-334, 2017	158	2017
Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors B Mortazavi, M Shahrokhi, M Raeisi, X Zhuang, LFC Pereira, T Rabczuk Carbon 149, 733-742, 2019	150	2019
Flat borophene films as anode materials for Mg, Na or Li-ion batteries with ultra high capacities: A first-principles study B Mortazavi, O Rahaman, S Ahzi, T Rabczuk Applied Materials Today 8, 60-67, 2017	148	2017
Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution B Mortazavi, EV Podryabinkin, IS Novikov, T Rabczuk, X Zhuang, ... Computer Physics Communications 258, 107583, 2021	145	2021
Thermal conductivity and mechanical properties of nitrogenated holey graphene B Mortazavi, O Rahaman, T Rabczuk, LFC Pereira Carbon 106, 1-8, 2016	139	2016
Multiscale modeling of thermal conductivity of polycrystalline graphene sheets B Mortazavi, M Pötschke, G Cuniberti Nanoscale 6, 3344-3352, 2014	132	2014
Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C₃N M Makaremi, B Mortazavi, CV Singh The Journal of Physical Chemistry C 121 (34), 18575-18583, 2017	131	2017

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