New paper published on Nanoscale titled Semiconductor-to-conductor transition in 2D copper(ii) oxide nanosheets through surface sulfur-functionalization

Tuesday, September 15, 2020

Nanomaterials, such as two-dimensional transition metal oxides, can be functionalized with various elements and small molecules in order to modulate their electronic, catalytic, and other properties. Elements such as sulfur have been used to control the properties of some metal oxides, but functionalization-studies of sulfur in other 2D systems, such as the semiconductor Cu(II)O, have yet to be explored. In a new publication in Nanoscale (DOI: https://doi.org/10.1039/D0NR02208J), we experimentally and theoretically explore the effect of sulfur-functionalization on the properties of Cu(II)O nanosheets. Sulfur-functionalization was found to lead to the formation of Cu-S structures on the surface of the Cu(II)O, which induce metallic behavior. The experimental results were corroborated by density-functional theory calculations, which showed that tthe the geometric distortions at the sulfur/oxygen interface cause the Fermi level to shift into the valence band, causing the metallic transition.