625 citations · 3.4k across the 26 of their papers we have counts for
34 papers
Mechanical, optical, and thermoelectric properties of semiconducting ZnIn2X4 (X= S, Se, Te) monolayers
Mohammad Ali Mohebpour, Bohayra Mortazavi, Timon Rabczuk +3
Mechanical stability of the ZnIn2X4 monolayers. The ZnIn2S4 and ZnIn2Se4 are semiconductors with direct band gaps of 3.94 and 2.77 eV, respectively whereas the ZnIn2Te4 shows an in…
Inverse design of reconfigurable piezoelectric topological phononic plates
Chuong Nguyen, S. S. Nanthakumar, Xiaoying Zhuang +3
We present a methodology to perform inverse analysis on reconfigurable topological insulators for flexural waves in plate-like structures. First the unit cell topology of a phononi…
Exploring thermal expansion of carbon-based nanosheets by machine-learning interatomic potentials
Bohayra Mortazavi, Ali Rajabpour, Xiaoying Zhuang +2
Examination of thermal expansion of two-dimensional (2D) nanomaterials is a challenging theoretical task with either ab-initio or classical molecular dynamics simulations. In this…
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…
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…