Colloquium: Phononic thermal properties of two-dimensional materials

X Gu, Y Wei, X Yin, B Li, R Yang - Reviews of Modern Physics, 2018 - APS
Following the emergence of many novel two-dimensional (2D) materials beyond graphene,
interest has grown in exploring implications for fundamental physics and practical …

Phonons and thermal transport in graphene and graphene-based materials

DL Nika, AA Balandin - Reports on Progress in Physics, 2017 - iopscience.iop.org
A discovery of the unusual thermal properties of graphene stimulated experimental,
theoretical and computational research directed at understanding phonon transport and …

Length-dependent thermal conductivity in suspended single-layer graphene

X Xu, LFC Pereira, Y Wang, J Wu, K Zhang… - Nature …, 2014 - nature.com
Graphene exhibits extraordinary electronic and mechanical properties, and extremely high
thermal conductivity. Being a very stable atomically thick membrane that can be suspended …

Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study

A Bafekry, MM Fadlallah, M Faraji, A Shafique… - Physical Chemistry …, 2022 - pubs.rsc.org
Low-symmetry penta-PdPSe (Pd4P4Se4) with intrinsic in-plane anisotropy was synthesized
successfully [P. Li et al., Adv. Mater., 2021, 2102541]. Motivated by this experimental …

Thermal conductivity of graphene and graphite: collective excitations and mean free paths

G Fugallo, A Cepellotti, L Paulatto, M Lazzeri… - Nano …, 2014 - ACS Publications
We characterize the thermal conductivity of graphite, monolayer graphene, graphane,
fluorographane, and bilayer graphene, solving exactly the Boltzmann transport equation for …

Phonon thermal transport in strained and unstrained graphene from first principles

L Lindsay, W Li, J Carrete, N Mingo, DA Broido… - Physical Review B, 2014 - APS
A rigorous first principles Boltzmann-Peierls equation (BPE) for phonon transport approach
is employed to examine the lattice thermal conductivity, κ L, of strained and unstrained …

Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations

Z Fan, LFC Pereira, HQ Wang, JC Zheng, D Donadio… - Physical Review B, 2015 - APS
We derive expressions of interatomic force and heat current for many-body potentials such
as the Tersoff, the Brenner, and the Stillinger-Weber potential used extensively in molecular …

Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors

B Mortazavi, M Shahrokhi, M Raeisi, X Zhuang… - Carbon, 2019 - Elsevier
Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene,
polyaniline carbon-nitride (C 3 N) and boron-carbide (BC 3) exhibit exceptional physical …

First-principles prediction of phononic thermal conductivity of silicene: A comparison with graphene

X Gu, R Yang - Journal of Applied Physics, 2015 - pubs.aip.org
There has been great interest in two-dimensional materials, beyond graphene, for both
fundamental sciences and technological applications. Silicene, a silicon counterpart of …

Recent Advances in Machine Learning‐Assisted Multiscale Design of Energy Materials

B Mortazavi - Advanced Energy Materials, 2024 - Wiley Online Library
This review highlights recent advances in machine learning (ML)‐assisted design of energy
materials. Initially, ML algorithms were successfully applied to screen materials databases …