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. 2018 Jan 11;3(1):393–405. doi: 10.1021/acsomega.7b01451

Table 2. Summary of the Results from the Characterization of the PbS Nanoparticles Synthesized with Different Capping Ligandsa.

system size (nm) onsetred (V) onsetoxi (V) Egechem (eV) Abs λmax, (nm) Egopt (eV) Eg(EELS) (eV) CB LUMO (eV) VB HOMO (eV)
PbS-OA 4.18 –2.04 –0.30 1.76 1000 1.11 1.35 3.06 4.24
  5.32 –1.87 0.05 1.92 1095 1.07   3.23 4.36
  5.97 –1.86 –0.11 1.75 1222 0.95   3.24 4.24
  6.27 –1.88 –0.11 1.77 1285 0.89   3.22 4.16
  6.73 –1.71 0.12 1.83 1368 0.842   3.39 4.28
PbS-MA 2.94 –2.03 –0.10 1.93 779 1.30 1.5 3.07 4.47
  3.64 –2.11 –0.16 1.95 1029 1.046   2.99 4.12
  3.83 –2.13 –0.19 1.94 1049 1.054   2.97 4.10
  4.08 –2.14 –0.08 2.06 1166 0.96   2.96 3.99
  5.33 –2.24 –0.13 2.11 1400 0.79   2.86 3.71
PbS-HA 4.03 –2.07 –0.12 1.95 817 1.20   3.03 4.30
  5.05 –2.08 –0.10 1.98 1285 0.80   3.02 3.88
a

Reduction and oxidation onsets with respect to ferrocene (Fc) used as an internal standard. Egechem = electrochemical band gap, Abs = maximum value of the first optical absorption peak, Eg = optical band gap, and Eg(EELS) = band gap calculated through EELS. HOMO and LUMO are calculated on an absolute energy scale using the following equations: Inline graphic (3)20 and Inline graphic (4)10