63.6k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- T. Rabczuk2 profiles99 · h 130
- B. Mortazavi45 · h 59
- X. Zhuang28 · h 86
- Benno Stein2 profiles20 · h 63
- Jin-Wu Jiang19 · h 53
- Harold S. Park13 · h 64
- Martin Potthast2 profiles13 · h 53
- Meysam Makaremi13 · h 19
- M. Shahrokhi12 · h 34
- Matthias Hagen2 profiles11 · h 34
- C. Anitescu9 · h 32
- G. Cuniberti2 profiles9 · h 70
- Tongji UniversityCN39 papers
- Leibniz University HannoverDE28 papers
- Ton Duc Thang UniversityVN26 papers
- Korea UniversityKR15 papers
- Boston UniversityUS13 papers
- Leipzig UniversityDE11 papers
- Technische Universität DresdenDE10 papers
- University of TorontoCA10 papers
- Friedrich Schiller University JenaDE9 papers
- Max Bergmann Zentrum für BiomaterialienDE9 papers
- Technical University of MunichDE8 papers
- Institut Català d'Investigació QuímicaES7 papers
42 papers · 1 filter
A python tool to determine the thickness of the hydrate layer around clinker grains using SEM-BSE images
Florian Kleiner, Franz Becker, Christiane Rößler +1
To accurately simulate the hydration process of cementitious materials, understanding the growth rate of C-S-H layers around clinker grains is crucial. Nonetheless, the thickness o…
Hexagonal boron-carbon fullerene heterostructures; Stable two-dimensional semiconductors with remarkable stiffness, low thermal conductivity and flat bands
Bohayra Mortazavi, Yves Remond, Hongyuan Fang +2
Among exciting recent advances in the field of two-dimensional (2D) materials, the successful fabrications of the C60 fullerene networks has been a particularly inspiring accomplis…
Exploration of mechanical, thermal conductivity and electromechanical properties of graphene nanoribbon springs
Brahmanandam Javvaji, Bohayra Mortazavi, Timon Rabczuk +1
Recent experimental advances [Liu \textit{et al., npj 2D Materials and Applications}, 2019, \textbf{3}, 23] propose the design of graphene nanoribbon spring (GNRS) to substantially…
Argon Broad Ion beam sectioning and high resolution scanning electron microscopy imaging of hydrated alite
Florian Kleiner, Christian Matthes, Christiane Rößler
Scanning electron microscopy (SEM) imaging is able to visualize micro- to nano-structures of cement and concrete. A prerequisite is that the sample preparation preserves the native…
Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC and BCN semiconductors
Bohayra Mortazavi, Masoud Shahrokhi, Mostafa Raeisi +3
Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene, polyaniline carbon-nitride (CN) and boron-carbide (BC) exhibit exceptional physical prop…
Carbon ene-yne graphyne monolayer as an outstanding anode material for Li/Naion batteries
Meysam Makaremi, Bohayra Mortazavi, Chandra Veer Singha
Recently "carbon ene-yne" (CEY), a novel full carbon two-dimensional (2D) material was successfully synthesized by the solvent-phase reaction. Motivated by this experimental effort…
Theoretical realization of Mo2P, a novel stable 2D material with superionic conductivity and attractive optical properties
Bohayra Mortazavi, Masoud Shahrokhi, Meysam Makaremi +1
Mo2P as a new member of the advancing two-dimensional (2D) materials family has been theoretically identified in this study. We conducted extensive density functional theory calcul…
Electronic, optical and thermal properties of highly stretchable 2D carbon Ene-yne graphyne
Bohayra Mortazavi, Masoud Shahrokhi, Timon Rabczuk +1
Recently, a new carbon-based two-dimensional (2D) material, so called "carbon Ene-yne" (CEY), was successfully synthesized. In this work, we examine electronic, optical and thermal…
Anomalous strain effect on the thermal conductivity of borophene: a reactive molecular dynamics study
Bohayra Mortazavi, Minh-Quy Le, Timon Rabczuk +1
Borophene, an atomically thin, corrugated, crystalline two-dimensional boron sheet, has been recently synthesized. We investigate mechanical properties and lattice thermal conducti…
Anisotropic thermal conductivity and mechanical properties of phagraphene: A molecular dynamics study
Luiz Felipe C. Pereira, Bohayra Mortazavi, Meysam Makaremi +1
Phagraphene is a novel 2D carbon allotrope with interesting electronic properties which has been recently theoretically proposed. Phagraphene is similar to a defective graphene str…
Thermal Conductivity and Mechanical Properties of Nitrogenated Holey Graphene
Bohayra Mortazavi, Obaidur Rahaman, Timon Rabczuk +1
Nitrogenated holey graphene (NHG), a two-dimensional graphene-derived material with a C2N stoichiometry and evenly distributed holes and nitrogen atoms in its basal plane, has rece…
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
Obaidur Rahaman, Bohayra Mortazavi, Timon Rabczuk
Silicon suboxide is currently considered as a unique candidate for lithium ion batteries anode materials due to its considerable capacity. However, no adequate information exist ab…
A Structural Insight into Mechanical Strength of Graphene-like Carbon and Carbon Nitride Networks
Obaidur Rahaman, Bohayra Mortazavi, Arezoo Dianat +2
Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomater…
Metamorphosis in Carbon Network: From Penta-Graphene to Biphenylene under Uniaxial Tension
Obaidur Rahaman, Bohayra Mortazavi, Arezoo Dianat +2
The power of polymorphism in carbon is vividly manifested by the numerous applications of carbon-based nano-materials. Ranging from environmental issues to biomedical applications,…
Mechanical properties of borophene films: A reactive molecular dynamics investigation
Minh-Quy Le, Bohayra Mortazavi, Timon Rabczuk
The most recent experimental advances could provide ways for the fabrication of several atomic thick and planar forms of boron atoms. For the first time, we explore the mechanical…
Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study
B Mortazavi, A Dianat, O Rahaman +2
Borophene, the boron atom analogue to graphene, being atomic thick have been just recently experimentally fabricated. In this work, we employ first-principles density functional th…
Mechanical response of all-MoS2 single-layer hetrostructures: A ReaxFF investigation
B Mortazavi, A Ostadhossein, T Rabczuk +1
Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning…
Strong thermal transport along polycrystalline transition metal dichalcogenides revealed by multiscale modelling for MoS2
Bohayra Mortazavi, Romain Quey, Alireza Ostadhossein +4
Transition metal dichalcogenides (TMDs) represent a large family of high-quality 2D materials with attractive electronic, thermal, chemical, and mechanical properties. Chemical vap…
Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study
B Mortazavi, G Cuniberti, T Rabczuk
Graphitic carbon nitride nanosheets are among 2D attractive materials due to presenting unusual physicochemical properties.Nevertheless, no adequate information exists about their…
Multiscale modeling of heat conduction in graphene laminates
B Mortazavi, T Rabczuk
We developed a combined atomistic-continuum hierarchical multiscale approach to explore the effective thermal conductivity of graphene laminates. To this aim, we first performed mo…
Amorphized graphene: A stiff material with low thermal conductivity
B Mortazavi, Z Fan, LFC Pereira +2
All-carbon heterostructures have been produced recently via focused ion beam patterning of single layer graphene. Amorphized graphene is similar to a graphene sheet in which some h…
Application of silicene, germanene and stanene for Na or Li ion storage: A theoretical investigation
B Mortazavi, A Dianat, G Cuniberti +1
Silicene, germanene and stanene likely to graphene are atomic thick material with interesting properties. We employed first-principles density functional theory (DFT) calculations…
First-principles investigation of mechanical properties of silicene, germanene and stanene
B Mortazavi, O Rahaman, M Makaremi +3
Two dimensional allotropes of group IV substrates including silicene, germanene and stanene have recently attracted considerable attention in nanodevice fabrication industry. These…
Anisotropic mechanical and optical response and negative Poissons ratio in Mo2C nanomembranes revealed by first-principles simulations
B Mortazavi, M Shahrokhi, M Makaremi +1
Transition metal carbides include a wide variety of materials with attractive properties that are suitable for numerous and diverse applications. Most recent experimental advance c…