Metallic states by angular dependence in 2H-MoS2 slabs

Angular dependence of layered 2H-MoS2 crystallites has been studied by High Resolution Transmission Electron Microscopy (HRTEM) and Density Functional Theory (DFT) revealing the presence of metallic states. Honeycomb-like structures were observed on HRTEM which corresponds to 2H-MoS2 slabs rotating from each other by about 12 degrees with respect to the stacking direction along the c-axis. DFT calculations demonstrated a rapid transition from a semiconductor state to a metallic state near 10 degrees of rotation. Further analysis of the band structure in range of 0 degrees < theta < 90 degrees indicates a reversal state from metallic to semiconductor when rotation reaches 90 degrees. (C) 2013 Published by Elsevier B. V.