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. 2022 Mar 1;7(10):8613–8622. doi: 10.1021/acsomega.1c06557

Table 2. Energy of the HOMO and LUMO Levels Calculated from CVA Data (Figure 7) and Calculated with DFT (Tables S1 and S3).

  HOMO (eV)
LUMO (eV)
dye CVA DFT CVA DFT
CuTFP –4.93 –5.07 –3.24 –2.59
CuTPP –5.21 –5.15 –3.07 –2.60