Related papers: A theoretical study of thermal conductivity in sin…
We combine machine learning (ML)-based neuroevolution potentials (NEP) with anharmonic lattice dynamics and the Boltzmann transport equation (ALD-BTE) to achieve a quantitative and mode-resolved description of thermal transport in…
Nonchiral single wall carbon nanotubes with an "armchair" wrapping are theoretically predicted to be conducting, and high purity samples consisting predominantly of these tubes exhibit metallic behavior with an intrinsic resistivity which…
We measure the conductivity spectra of thin films comprising bundled single-walled carbon nanotubes (CNTs) of different average lengths in the frequency range 0.3-1000 THz and temperature interval 10-530 K. The observed temperature-induced…
We study the dependence of thermal conductivity of single walled nanotubes (SWNT) on chirality and isotope impurity by nonequilibrium molecular dynamics method with accurate potentials. It is found that, contrary to electronic conductivity,…
Materials with high thermal conductivities (k) is valuable to solve the challenge of waste heat dissipation in highly integrated and miniaturized modern devices. Herein, we report the first synthesis of atomically thin isotopically pure…
Monolayer hexagonal boron nitride is a prototypical planar 2-dimensional system material and has been the subject of many investigations of its exceptional vibrational, spectroscopic and transport properties. The lattice thermal…
The conduction of a single-wall carbon nanotube depends on the pitch. If there are an integral number of carbon hexagons per pitch, then the system is periodic along the tube axis and allows "holes" (, and not "electrons",) to move inside…
I estimate maximum thermal conductivity $\kappa$ of a perfectly aligned bundle of single wall carbon nanotubes. Each row of aligned nanotubes has a discrete structure. It consists of segments of nanotubes with length $L$. The spacing…
Based on the non-equilibrium molecular dynamics simulations, we have studied the thermal conductivities of a novel ultra-thin one-dimensional carbon nanomaterial - diamond nanothread (DNT). Unlike single-wall carbon nanotube (CNT), the…
We compute the thermal conductivity of monolayer beryllene using the linearized phonon Boltzmann transport equation with interatomic force constants obtained from \textit{ab-initio} calculations. Monolayer beryllene exhibits an impressive…
We have measured the thermal conductivity in the ab-plane, $\kappa$ab, and along the c-axis, $\kappa$c, of single crystals of the S = 1/2 triangular-lattice antiferromagnet Ba3CoSb2O9 in zero field and magnetic fields. In zero field, it has…
Thermoelectric power (TEP) of individual single walled carbon nanotubes (SWNTs) has been measured at mesoscopic scales using a microfabricated heater and thermometers. Gate electric field dependent TEP-modulation has been observed. The…
The phonon modes at finite temperature in graphene and single-walled carbon nanotubes (SWCNT) are investigated by the mode projection technique combined with molecular dynamics simulation. It is found that the quadratic phonon spectrum of…
Investigating thermal transport in van der Waals heterostructure is of scientific interest and practical importance for their applications in a broad range. In this work, thermal conductivity of one-dimensional heterostructure consisting of…
We study heat dissipation from a (10,10) CNT to a SiO2 substrate using equilibrium and non-equilibrium classical molecular dynamics. The CNT-substrate thermal boundary conductance (TBC) is computed both from the relaxation time of the…
The thermal properties of single-walled carbon nanotubes (SWNTs) are of significant interest, yet their dependence on SWNT chirality has been, until now, not explored experimentally. Here we used electrical heating and infrared thermal…
Electrical transport through single-walled carbon nanotubes (SWNTs) is investigated by using the nearest-neighbor tight-binding model coupled with two electron reservoirs. When the SWNT-electrode coupling is not axially symmetric,…
We compute atomistically the heat conductance for ultra-thin pristine silicon nanowires (SiNWs) with diameters ranging from 1 to 5 nm. The room temperature thermal conductance is found to be highly anisotropic: wires oriented along the…
As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low…
The thermal conductivity of low-dimensional materials and graphene nanoribbons in particular, is limited by the strength of line-edge-roughness scattering. One way to characterize the roughness strength is the dependency of the thermal…