https://www.selleckchem.com/pr....oducts/3-deazaneplan
Structures of non-stoichiometric MoxSy clusters (x = 2-4; y = 2-1 were studied by density functional calculations with global optimization. Besides 1T phase like structures, a novel regular grid structure in which Mo atoms are well separated by S atoms was found, which might be used as a building-block to construct a new type of two-dimensional molybdenum sulfide monolayer. The hydrogen molecule prefers to be adsorbed onto Mo atoms rather than S atoms, and Mo atoms with less S coordination have a higher ability to ad