activity
20182023
most citedExceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles

625 citations · 1.1k across the 14 of their papers we have counts for

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12 papers · 1 filter

cond-mat.mtrl-sci2022★ 1 cited

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…

cond-mat.mtrl-sci2022

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…

cond-mat.mtrl-sci2021★ 48 cited

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…

cond-mat.mtrl-sci2021

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-…

cond-mat.mtrl-sci2021★ 27 cited

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…

cond-mat.mtrl-sci2021★ 48 cited

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…