相关论文: Lattice Vibrational Modes and Phonon Thermal Condu…
Modifying phonon thermal conductivity in nanomaterials is important not only for fundamental research but also for practical applications. However, the experiments on tailoring the thermal conductivity in nanoscale, especially in…
Electronic and thermoelectric properties of a two-dimensional MoS2 monolayer containing atomic defects are investigated using density functional theory. All the atomic defects have been found to exhibit endothermic nature. Electronic…
Thermal transport in single layer molybdenum disulfide (MoS2) is critical to advancing its applications. In this paper, we use molecular dynamics (MD) simulations with first-principles force constants to study the isotope effect on the…
We systematically investigated the phonon and electron transport properties of monolayer InSe and its Janus derivatives including monolayer In2SSe and In2SeTe by first-principles calculations. The breaking of mirror symmetry produce a…
In this work, we present a comprehensive investigation of graphene's thermal conductivity using first-principles density functional perturbation theory calculations, with a focus on the phonon and lattice vibrational properties underlying…
The thermoelectric figures of merit of pristine two-dimensional materials are predicted to be significantly less than unity, making them uncompetitive as thermoelectric materials. Here we elucidate a new strategy that overcomes this…
Two dimensional (2D) materials such as graphene and transition metal dichalcogenides (TMDC) have received extensive research interests and investigations in the past decade. In this research, we report the first experimental measurement of…
Thermal transport property of homogeneous twisted molybdenum disulfide (MoS$_2$) is investigated using non-equilibrium molecular dynamics simulations with the state-of-art force fields. The simulation results demonstrate that the…
Atomically thin materials such as graphene and semiconducting transition metal dichalcogenides (TMDCs) have attracted extensive interest in recent years, motivating investigation into multiple properties. In this work, we demonstrate a…
Thickness is one of the fundamental parameters that define the electronic, optical, and thermal properties of two-dimensional (2D) crystals. Phonons in molybdenum disulfide (MoS2) were recently found to exhibit unique thickness dependence…
The anisotropic thermal conductivity and the phonon mean free path (mfp) in monoclinic $\beta$-Ga$_2$O$_3$ single crystals and homoepitaxial films of several $\mu$m were determined using the 3$\omega$-method in the temperature range from…
We theoretically calculate the phonon scattering limited electron mobility in extrinsic (i.e. gated or doped with a tunable and finite carrier density) 2D graphene layers as a function of temperature $(T)$ and carrier density $(n)$. We find…
The infrared reflectance of the transition metal chalcogenide 1T-TaS2 has been measured at temperatures from 30K to 360K over 30-45,000cm^-1 (4meV-5.5eV). The optical conductivity was obtained by Kramers-Kronig analysis. At 360K only modest…
The phonon thermal transport properties of twisted bi-layer graphene are investigated using lattice dynamics and the Boltzmann transport equation. The thermal conductivities of 13.2 and 21.8 twisted configurations are 56% and 36% lower than…
Two-dimensional (2D) metallic systems with intrinsically low lattice thermal conductivity are rare, yet they are of great interest for next-generation energy and electronic technologies. Here, we present a comprehensive first-principles…
We study the phonon modes in single-walled MoS$_{2}$ nanotubes via the lattice dynamics calculation and molecular dynamics simulation. The phonon spectra for tubes of arbitrary chiralities are calculated from the dynamical matrix…
We perform classical molecular dynamics simulations to examine the intrinsic energy dissipation in single-layer MoS$_{2}$ nanoresonators, where a point of emphasis is to compare its dissipation characteristics with those of single-layer…
We report Raman spectra measurements on a MoS2 monolayer supported on SiO2 as a function of temperature. Unlike in previous studies, the positions of the two main Raman modes, E2g1 and A1g exhibited nonlinear temperature dependence.…
The linear dispersion relation in graphene[1,2] gives rise to a surprising prediction: the resistivity due to isotropic scatterers (e.g. white-noise disorder[3] or phonons[4-8]) is independent of carrier density n. Here we show that…
Two-dimensional (2-D) transition metal dichalcogenides (TMDs) have shown numerous interesting physical and chemical properties, making them promising materials for electronic, optoelectronic, and energy applications. Tuning thermal…