Single-Layer MoS2 Electronics

Chemistry and electronics of single layer MoS2 domains from photoelectron spectromicroscopy using laboratory excitation sources

In the recent context of emerging two-dimensional (2D) materials, a comprehensive set of spatially resolved photoelectron spectroscopic techniques providing information ranging from surface chemical states to electronic band structuremust be available at the practical level (i.e. from laboratory-based instrumentation) for a better understanding of their outstanding properties. We highlight rece...

Single Layer MoS2 Band Structure and Transport

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...

Water desalination with a single-layer MoS2 nanopore

Efficient desalination of water continues to be a problem facing the society. Advances in nanotechnology have led to the development of a variety of nanoporous membranes for water purification. Here we show, by performing molecular dynamics simulations, that a nanopore in a single-layer molybdenum disulfide can effectively reject ions and allow transport of water at a high rate. More than 88% o...

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(...