Colloquium: Phononic thermal properties of two-dimensional materials
Following the emergence of many novel two-dimensional (2D) materials beyond graphene,
interest has grown in exploring implications for fundamental physics and practical …
interest has grown in exploring implications for fundamental physics and practical …
Phonons and thermal transport in graphene and graphene-based materials
A discovery of the unusual thermal properties of graphene stimulated experimental,
theoretical and computational research directed at understanding phonon transport and …
theoretical and computational research directed at understanding phonon transport and …
Length-dependent thermal conductivity in suspended single-layer graphene
Graphene exhibits extraordinary electronic and mechanical properties, and extremely high
thermal conductivity. Being a very stable atomically thick membrane that can be suspended …
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
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 …
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
We characterize the thermal conductivity of graphite, monolayer graphene, graphane,
fluorographane, and bilayer graphene, solving exactly the Boltzmann transport equation for …
fluorographane, and bilayer graphene, solving exactly the Boltzmann transport equation for …
Phonon thermal transport in strained and unstrained graphene from first principles
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 …
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
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 …
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
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 …
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
There has been great interest in two-dimensional materials, beyond graphene, for both
fundamental sciences and technological applications. Silicene, a silicon counterpart of …
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 …
materials. Initially, ML algorithms were successfully applied to screen materials databases …