Orientation Dependent Thermal Conductance in Single-Layer MoS2

Orientation Dependent Thermal Conductance in Single-Layer MoS2

We investigate the thermal conductivity in the armchair and zigzag MoS2 nanoribbons, by combining the non-equilibrium Green's function approach and the first-principles method. A strong orientation dependence is observed in the thermal conductivity. Particularly, the thermal conductivity for the armchair MoS2 nanoribbon is about 673.6 Wm(-1) K(-1) in the armchair nanoribbon, and 841.1 Wm(-1) K(...

Phonons in single-layer and few-layer MoS2 and WS2

We report ab initio calculations of the phonon dispersion relations of the single-layer and bulk dichalcogenides MoS2 and WS2. We explore in detail the behavior of the Raman-active modes A1g and E1 2g as a function of the number of layers. In agreement with recent Raman spectroscopy measurements [C. Lee et al., ACS Nano 4, 2695 (2010)], we find that the A1g mode increases in frequency with an i...

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 between two leads, graphene provides a perfect test platform for studying thermal conductivity in two-dimensional systems, which is of primary importance for phonon transport in low-dimensional materials. Here we repor...

Single Layer MoS2 Band Structure and Transport

Doping Properties and Phase Transition in Single-Layer MoS2

Layered inorganic transition metal dichalcogenides (TMDs) exhibit wide variety of electronic properties [1]. Among them, single-layer molybdenum disulfide (SL-MoS2) is one of the most prominent TMDs, which is a direct bandgap semiconductor and possesses carrier mobility comparable to graphene nano-ribbon with high current on-off ratio [2]. The electrical conductivity of MoS2 can be further modu...