Realization of semiconducting Cu2Se by direct selenization of Cu(111)*

Bulk group IB transition-metal chalcogenides have been widely explored due to their applications in thermoelectrics. However, a layered two-dimensional form of these materials has been rarely reported. Here, we realize semiconducting Cu2Se by direct selenization of Cu(111). Scanning tunneling microcopy measurements combined with first-principles calculations allow us to determine the structural and electronic properties of the obtained structure. X-ray photoelectron spectroscopy data reveal chemical composition of the sample, which is Cu2Se. The observed moiré pattern indicates a lattice mismatch between Cu2Se and the underlying Cu(111)- 3 × 3 surface. Differential conductivity obtained by scanning tunneling spectroscopy demonstrates that the synthesized Cu2Se exhibits a band gap of 0.78 eV. Furthermore, the calculated density of states and band structure demonstrate that the isolated Cu2Se is a semiconductor with an indirect band gap of ∼ 0.8 eV, which agrees quite well with the experimental results. Our study provides a simple pathway varying toward the synthesis of novel layered 2D transition chalcogenides materials.