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. 2021 Sep 20;12(40):13379–13391. doi: 10.1039/d1sc04338b

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