625 citations · 1.4k across the 16 of their papers we have counts for
16 papers
Anomalous tensile strength and thermal expansion, and low thermal conductivity in wide band gap boron monoxide monolayer
Bohayra Mortazavi, Fazel Shojaei, Fei Ding +1
Most recently the formation of boron monoxide (BO) in the two-dimensional (2D) form has been confirmed experimentally (J. Am. Chem. Soc. 2023, 145, 14660). Motivated by the aforeme…
Comment on 'Erratum: 'Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations' [Appl. Phys. Lett. 119, 142102 (2021)]'
Bohayra Mortazavi, Fazel Shojaei, and Masoud Shahrokhi
Recently, Bafekry et al. [Appl. Phys. Lett. 120, 189901 (2022)] reported their density functional theory (DFT) results on the elastic constants of C6N7 monolayer. They predicted no…
Comment on Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations [Appl. Phys. Lett. 2021, 119, 142102]
Bohayra Mortazavi, Fazel Shojaei, and Masoud Shahrokhi
Recently, Bafekry et al. [Appl. Phys. Lett. 119, 142102 (2021)] reported their density functional theory (DFT) results on the elastic constants of a novel C6N7 monolayer. They pred…
Comment on A novel two-dimensional boron carbon nitride (BCN) monolayer: A first-principles insight [J. Appl. Phys. 2021, 130, 114301]
Bohayra Mortazavi, Fazel Shojaei, Mehdi Neek-Amal
Recently, Bafekry et al. [J. Appl. Phys. 130, 114301(2021)] reported their density functional theory (DFT) results on the structural, phonon dispersion, elastic constants and elect…
Silicon diphosphide (SiP2) and silicon diarsenide (SiAs2): Novel stable 2D semiconductors with high carrier mobilities, promising for water splitting photocatalysts
Fazel Shojaei, Bohayra Mortazavi, Xiaoying Zhuang +1
Two dimensional (2D) semiconducting light absorbers, have recently considered as promising components to improve the efficiency in the photocatalytic hydrogen production via water…
Comment on A Dirac-semimetal two-dimensional BeN4: Thickness-dependent electronic and optical properties [Appl. Phys. Lett. 118, 203103 (2021)]
Bohayra Mortazavi, Masoud Shahrokhi, Fazel Shojaei
Most recently, Bykov and coworkers reported the successful synthesis of layered structure of BeN4. Followed by the experimental report, Bafekry and coworkers published their first-…
Outstandingly high thermal conductivity, elastic modulus, carrier mobility and piezoelectricity in two-dimensional semiconducting CrC2N4: A first-principles study
Bohayra Mortazavi, Fazel Shojaei, Brahmanandam Javvaji +2
Experimental realization of single-layer MoSi2N4 is among the latest groundbreaking advances in the field of two-dimensional (2D) materials. Inspired by this accomplishment, herein…
High tensile strength and thermal conductivity in BeO monolayer: A first-principles study
Bohayra Mortazavi, Fazel Shojaei, Timon Rabczuk +1
In a latest experimental advance, graphene-like and insulating BeO monolayer was successfully grown over silver surface by molecular beam epitaxy (ACS Nano 15(2021), 2497). Inspire…
Ultrahigh stiffness and anisotropic Dirac cones in BeN4 and MgN4 monolayers: A first-principles study
Bohayra Mortazavi, Fazel Shojaei, Xiaoying Zhuang
Beryllium polynitrides, BeN4 is a novel layered material, which has been most recently fabricated under high pressure (Phys. Rev. Lett. 126(2021), 175501). As a new class of 2D mat…
Ultrahigh carrier mobility, Dirac cone and high stretchability in pyrenyl and pyrazinoquinoxaline graphdiyne/graphyne nanosheets confirmed by first-principles
Fazel Shojaei, Bohayra Mortazavi
Graphdiyne nanomaterials are low density and highly porous carbon-based two-dimensional (2D) materials, with outstanding application prospects for electronic and energy storage/con…
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 +3
Chemical vapor deposition has been most recently employed to fabricate centimeter-scale high-quality single-layer MoSi2N4 (Science; 2020;369; 670). Motivated by this exciting exper…
MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic, optical, and photocatalytic properties
A. Bafekry, M. Faraji, Do M. Hoat +5
Very recently, the two-dimensional (2D) form of MoSi2N4 has been successfully fabricated [Hong et al., Sci. 369, 670 (2020)]. Motivated by theses recent experimental results, herei…
High thermal conductivity in semiconducting Janus and non-Janus diamanes
Mostafa Raeisi, Bohayra Mortazavi, Evgeny V. Podryabinkin +3
Most recently, F-diamane monolayer was experimentally realized by the fluorination of bilayer graphene. In this work we elaborately explore the electronic and thermal conductivity…
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…
Stability Trend of Tilted Perovskites
Fazel Shojaei, Wan-Jian Yin
Halide perovskites, with prototype cubic phase ABX3, undergo various phase transitions accompanied by rigid rotations of corner-sharing BX6 octahedra. Using first-principles densit…