Electronic Tuning of 2D MoS2 through Surface Functionalization

The electronic properties of thiol-functionalized 2D MoS2 nanosheets are investigated. Shifts in the valence and conduction bands and Fermi levels are observed while bandgaps remain unaffected. These findings allow the tuning of energy barriers between 2D MoS2and other materials, which can lead to improved control over 2D MoS2-based electronic and optical devices and catalysts.