Fig. 3: Band gap modulation and band structure calculation of OMCs.

a The band gap of OMCs modulated by changing the components (calculated from UV–vis diffuse reflectance spectra); b calculated band structure of bulk Cu(SPh-OH) and its corresponding VBM and CBM at Gamma (G) point; c calculated band structure of monolayer Cu(SPh-OH) and its corresponding VBM and CBM at Gamma (G) point.