most citedMachine-Learning Interatomic Potentials Enable First-Principles Multiscale Modeling of Lattice Thermal Conductivity in Graphene/Borophene Heterostructures

218 citations · 228 across the 2 of their papers we have counts for

collaborators

5 papers

cond-mat.mes-hall20238 cited

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…

cond-mat.mtrl-sci20235 cited

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…

cond-mat.mtrl-sci202371 cited

Structural, electronic, thermal and mechanical properties of C60-based fullerene two-dimensional networks explored by first-principles and machine learning

Bohayra Mortazavi

Recent experimental reports on the realizations of two-dimensional (2D) networks of the C60-based fullerenes with anisotropic and nanoporous lattices represent a significant advanc…

cond-mat.mtrl-sci202210 cited

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…

cond-mat.mtrl-sci2020218 cited

Machine-Learning Interatomic Potentials Enable First-Principles Multiscale Modeling of Lattice Thermal Conductivity in Graphene/Borophene Heterostructures

Bohayra Mortazavi, Evgeny V. Podryabinkin, Stephan Roche +3

One of the ultimate goals of computational modeling in condensed matter is to be able to accurately compute materials properties with minimal empirical information. First-principle…