Related papers: Thermal Transport in MoS$_2$ from Molecular Dynami…
Transport and diffusion of heat in one dimensional (1D) nonlinear systems which {\it conserve momentum} is typically thought to proceed anomalously. Notable exceptions, however, exist of which the rotator model is a prominent case.…
We report measurements of the heat capacity and cross-plane thermal conductivity of 2D (CxH2x+1NH3)2[MAPbBr3]n-1PbBr4 (MA = methylammonium) lead bromide perovskites (2D LHPs) at room temperature as a function of both the octahedral layer…
Particle beds are widely used in various systems and processes, such as particle heat exchangers, granular flow reactors, and additive manufacturing. Accurate modeling of thermal conductivity of particle beds and understanding of their heat…
We present a computational study on the impact of line defects on the electronic properties of monolayer MoS2. Four different kinds of line defects with Mo and S as the bridging atoms, consistent with recent theoretical and experimental…
The advancement of nanoscale electronics has been limited by energy dissipation challenges for over a decade. Such limitations could be particularly severe for two-dimensional (2D) semiconductors integrated with flexible substrates or…
Understanding the phase transition mechanisms in two-dimensional (2D) materials is a key to precisely tailor their properties at the nanoscale. Molybdenum ditelluride (MoTe2) exhibits multiple phases at room temperature, making it a…
Two-dimensional transition metal dichalcogenides (TMDCs) are finding promising electronic and optical applications due to their unique properties. In this letter, we systematically study the phonon transport and thermal conductivity of…
Ever since the discovery of the record-high thermal conductivity of single layer graphene, thermal transport capability of monolayer 2D materials has been under constant spotlight. Since thermal conductivity is an intensive property for 3D…
Newly measured optical absorption and photoluminescence spectra reveal substantial frequency shifts of both exciton and trion peaks as monolayer MoS2 is cooled from 363 K to 4 K. First-principles simulations using the GW-Bethe-Salpeter…
The discovery of nanostructures and the development of growth and fabrication techniques of one- and two-dimensional materials provide the possibility to probe experimentally heat transport in low-dimensional systems. Nevertheless measuring…
Efficient heat dissipation to the substrate is crucial for optimal device performance in nanoelectronics. We develop a theory of electronic thermal boundary conductance (TBC) mediated by remote phonon scattering for the single-layer…
Phonon heat transport in mesoscopic systems is investigated using methods analogous to the Landauer description of electrical conductance. A "universal heat conductance" expression that depends on the properties of the conducting pathway…
The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input from density functional theory calculations. These…
Two-probe electronic transport measurements on a Molybdenum Disulphide (MoS_2) surface were performed at low temperature (30K) under ultra-high vacuum conditions. Two scanning tunneling microscope tips were precisely positioned in tunneling…
Thermal transport in metal-organic frameworks (MOFs) is of practical interest in diverse applications such as gas storage and separations, since insufficient heat dissipation can lead to detrimental effects. Despite investigations,…
We investigate the thermal conductivity of plumbene using molecular dynamics simulations, overcoming existing limitations by optimizing the parameters of Tersoff and Stillinger-Weber potentials via artificial neural networks. Our findings…
We investigate the thermal conductivity in the armchair and zigzag MoS$_{2}$ nanoribbons, by combining the non-equilibrium Green's function approach and the first-principles method. A strong orientation dependence is observed in the thermal…
Molybdenum ditelluride, MoTe2, is a versatile material where the topological phase can be readily tuned by manipulating the associated structural phase transition. The fine details of the band structure of MoTe2, key to understanding its…
Ensuring solid-state lithium batteries perform well across a wide temperature range is crucial for their practical use. Molecular dynamics (MD) simulations can provide valuable insights into the temperature dependence of the battery…
There has been much interest in semiconductor superlattices because of showing very low thermal conductivities. This makes them especially suitable for applications in a variety of devices for thermoelectric generation of energy, heat…