The TTFTC˙+ population (i.e., spin/TTFTC ligand), electronic and optical band gaps, electrical conductivity, and activation energy of MOFs.
Na-MOF 1-ox | K-MOF | Rb-MOF | Cs-MOF 4 | |||
---|---|---|---|---|---|---|
2 | 2-ox | 3 | 3-ox | |||
% TTFTC˙+ population | 23 (0.23) | 16 (0.16) | 25 (0.25) | 0.5 (0.005) | 10 (0.1) | 0.3 (0.003) |
E opt (eV)—expt. | 1.33 | 1.99 | 1.35 | 2.12 | 1.37 | 2.11 |
σ avg (S cm−1, 293 K) | 3.4 (±0.11) × 10−5 | 1.7 (±0.3) × 10−5 | 6.3 (±0.6) × 10−5 | 1.5 (±0.2) × 10−5 | 4.1 (±0.4) × 10−5 | 1.3 (±0.3) × 10−7 |
σ max (S cm−1, 293 K) | 3.6 × 10−5 | 2.1 × 10−5 | 6.6 × 10−5 | 1.7 × 10−5 | 4.7 × 10−5 | 1.75 × 10−7 |
E a (eV) | 0.06 | 0.18 | 0.16 | 0.19 | 0.19 | — |