Correction to “Inapplicability of Electron-Hopping Models for the

Addition/Correction pubs.acs.org/JPCL

Correction to “Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)” Fruzsina Gajdos, Harald Oberhofer, Michel Dupuis, and Jochen Blumberger* J. Phys. Chem. Lett. 2013, 4, 1012−1017. DOI: 10.1021/jz400227c S Supporting Information *

E

Table 2. Electron-Transfer Parameter for Monoclinic PCBM in the Minimum Energy Structure

lectronic coupling matrix elements (Hab) reported in Tables 1 and 2 in the main text were not correctly

Table 1. Electron-Transfer Parameter for Triclinic PCBM in the Minimum Energy Structure ET direction

R (Å)

Hab (meV)

λ (meV)

ΔE‡ad (meV)

[11̅1]24 [010]12 [01̅0]34 [010]13 [000]13 [1̅10]12 [11̅0]34 [000]41 [000]32 [011̅]42 [000]21 [000]43 [11̅ 1̅ ]̅ 41 [001̅]32 [100]21 [100]34 [100]14 [100]32 [1̅10]42 [100]11 [100]22 [100]33 [100]44 [001̅]31 [001̅]42 [11̅0]31

9.87 9.88 9.88 9.91 9.92 9.95 9.95 10.00 10.00 10.08 10.11 10.11 10.18 10.18 13.20 13.20 13.42 13.42 13.68 13.83 13.83 13.83 13.83 14.19 14.51 14.53

15.2 48.4 48.4 2.7 49.0 12.9 12.9 50.0 50.0 16.8 40.0 40.0 5.1 5.1 0.2 0.2 0.5 0.5 5.8 0.3 0.3 0.0 0.0 1.6 0.1 0.1

137 138 138 138 138 138 138 138 138 138 138 138 138 138 146 146 146 146 147 147 147 147 147 148 148 148

21 1 1 31 1 22 22 1 1 20 5 5 30 30 36 36 36 36 31 36 36 37 37 35 37 37

kET (Hz) 3.03 1.39 1.39 9.50 1.41 2.25 2.25 1.43 1.43 3.57 1.15 1.15 3.50 3.50 4.31 4.31 2.71 2.71 4.11 9.60 9.60