International Journal of Photoenergy / 2013 / Article / Tab 3

Research Article

Theoretical Study of Copper Complexes: Molecular Structure, Properties, and Its Application to Solar Cells

Table 3

Chemical reactivity parameters using DFT descriptors.

Copper complexChemical reactivity descriptors (eV)
χηω

CuL49.794.477.132.669.55
CuL610.154.537.342.819.58
CuL79.744.136.942.808.58
CuL89.354.266.802.549.10
CuL99.574.447.012.569.58