| FTIR, film | Pronounced C–D stretching peaks were observed at 2214 and 2099 cm⁻¹; the C–H stretching bands at 2956, 2923, and 2854 cm⁻¹ were absent |
|---|---|
| TGA, 5 % weight loss | Td: 391 °C |
| UV–visible absorption, chlorobenzene solution | λmax: 644 nm |
| UV–visible absorption, film | Optical band gap: 1.64 eV; λmax: 673 nm |
| Cyclic voltammetry | Ionization potential: 5.33 eV; electron affinity estimated from the ionization potential and optical band gap: 3.69 eV |
Rachel C. Kilbride, Matthew Bidwell, Emma L. K. Spooner, Adam V. Marsh, James P. Tellam, Robert M. Dalgliesh, Philipp Gutfreund, Martin Heeney, David G. Lidzey, Richard A. L. Jones, Iain McCulloch, Andrew J. Parnell. “Correlating multiscale morphologies with function via selective deuteration in non-fullerene organic photovoltaics.” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15007930/v1
Values presented only in spectra, thermograms, scattering patterns, microscopy images, reflectivity profiles, or other plots or images were not transcribed. The main paper states that full ¹H, ²H and ¹³C NMR characterization is provided in the supporting information, but no separate supporting information file was available on the ChemRxiv article page
| FTIR, film | Sharp C–H stretching bands were observed at 2956, 2923, and 2854 cm⁻¹ |
|---|---|
| TGA, 5 % weight loss | Td: 400 °C |
| DSC | No observable crystallization exotherm was observed |
| UV–visible absorption, chlorobenzene solution | λmax: 644 nm |
| UV–visible absorption, film | Optical band gap: 1.64 eV; λmax: 679 nm |
| Cyclic voltammetry | Ionization potential: 5.33 eV; electron affinity estimated from the ionization potential and optical band gap: 3.69 eV |
| GIWAXS, neat film | Lamellar stacking d-spacing: 17.6 Å; lamellar crystalline coherence length: 19.2 nm; π–π stacking d-spacing: 3.52 Å |
| FTIR, film | Pronounced C–D stretching peaks were observed at 2214 and 2099 cm⁻¹; the C–H stretching bands at 2956, 2923, and 2854 cm⁻¹ were absent |
|---|---|
| TGA, 5 % weight loss | Td: 395 °C |
| DSC | A weak exothermic crystallization transition was observed between 115 and 120 °C, followed by a pronounced endothermic melting transition at 225–226 °C |
| UV–visible absorption, chlorobenzene solution | λmax: 646 nm |
| UV–visible absorption, film | Optical band gap: 1.61 eV; λmax: 690 nm |
| Cyclic voltammetry | Ionization potential: 5.29 eV; electron affinity estimated from the ionization potential and optical band gap: 3.68 eV |
| FTIR, film | Sharp C–H stretching bands were observed at 2956, 2923, and 2854 cm⁻¹ |
|---|---|
| TGA, 5 % weight loss | Td: 391 °C |
| DSC | A weak exothermic crystallization transition was observed between 115 and 120 °C, followed by a pronounced endothermic melting transition at 225–226 °C |
| UV–visible absorption, chlorobenzene solution | λmax: 645 nm |
| UV–visible absorption, film | Optical band gap: 1.61 eV; λmax: 685 nm |
| Cyclic voltammetry | Ionization potential: 5.30 eV; electron affinity estimated from the ionization potential and optical band gap: 3.69 eV |
| GIWAXS, neat film | Lamellar stacking d-spacing: 17.3 Å; lamellar crystalline coherence length: 22.6 nm; π–π stacking d-spacing: 3.48 Å |
| FTIR, film | Pronounced C–D stretching peaks were observed at 2214 and 2099 cm⁻¹; the C–H stretching bands at 2956, 2923, and 2854 cm⁻¹ were absent |
|---|---|
| TGA, 5 % weight loss | Td: 347 °C |
| UV–visible absorption, chlorobenzene solution | λmax: 669 nm |
| UV–visible absorption, film | Optical band gap: 1.52 eV; λmax: 720 nm |
| Cyclic voltammetry | Ionization potential: 5.46 eV; electron affinity estimated from the ionization potential and optical band gap: 3.94 eV |
| FTIR, film | Sharp C–H stretching bands were observed at 2956, 2923, and 2854 cm⁻¹ |
|---|---|
| TGA, 5 % weight loss | Td: 350 °C |
| DSC | No observable crystallization exotherm was observed |
| UV–visible absorption, chlorobenzene solution | λmax: 670 nm |
| UV–visible absorption, film | Optical band gap: 1.51 eV; λmax: 724 nm |
| Cyclic voltammetry | Ionization potential: 5.44 eV; electron affinity estimated from the ionization potential and optical band gap: 3.93 eV |
| GIWAXS, neat film | Lamellar stacking d-spacing: 15.7 Å; lamellar crystalline coherence length: 2.6 nm |
| GIWAXS | Lamellar stacking d-spacing: 22.3 Å; lamellar crystalline coherence length: 4.5 nm; π–π stacking d-spacing: 3.7 Å; π–π stacking crystalline coherence length: 0.8 nm |
|---|
| UV–visible absorption | λmax: 668 nm |
|---|---|
| GIWAXS, PTB7-Th lamellar peak | qpeak: 0.293 ± 0.006 Å⁻¹; d: 21.5 ± 0.4 Å; Δq: 0.170 ± 0.011 Å⁻¹; crystalline coherence length: 3.3 ± 0.2 nm |
| GIWAXS, NFA lamellar peak | qpeak: 0.354 ± 0.001 Å⁻¹; d: 17.8 ± 0.06 Å; Δq: 0.061 ± 0.007 Å⁻¹; crystalline coherence length: 9.3 ± 1.0 nm |
| UV–visible absorption | λmax: 683 nm |
|---|---|
| GIWAXS, PTB7-Th lamellar peak | qpeak: 0.304 ± 0.002 Å⁻¹; d: 20.6 ± 0.2 Å; Δq: 0.162 ± 0.006 Å⁻¹; crystalline coherence length: 3.5 ± 0.1 nm |
| GIWAXS, NFA lamellar peak | qpeak: 0.363 ± 0.001 Å⁻¹; d: 17.3 ± 0.03 Å; Δq: 0.031 ± 0.002 Å⁻¹; crystalline coherence length: 18.3 ± 1.5 nm |
| UV–visible absorption | λmax: 710 nm |
|---|---|
| GIWAXS, PTB7-Th lamellar peak | qpeak: 0.298 ± 0.002 Å⁻¹; d: 21.1 ± 0.2 Å; Δq: 0.154 ± 0.008 Å⁻¹; crystalline coherence length: 3.7 ± 0.2 nm |
| GIWAXS, NFA lamellar peak | qpeak: 0.403 ± 0.002 Å⁻¹; d: 15.6 ± 0.06 Å; Δq: 0.084 ± 0.006 Å⁻¹; crystalline coherence length: 6.8 ± 0.5 nm |
| SANS, DAB and power-law fits | Correlation length, ξ: 8.8 ± 0.2 nm; scattering exponent, α: 2.74 ± 0.06 |
|---|---|
| AFM | Root-mean-square surface roughness: 2.1 nm; the surface was smooth with fine features |
| Neutron reflectometry, two-layer fit | The acceptor-rich interface occupied approximately 18 % of the total film thickness; the acceptor volume fraction was approximately 96 % at the ZnO/blend interface |
| SANS, DAB and power-law fits | Correlation length, ξ: 29.8 ± 0.7 nm; scattering exponent, α: 3.75 ± 0.08 |
|---|---|
| AFM | Root-mean-square surface roughness: 11.0 nm; pronounced surface aggregation was observed |
| Neutron reflectometry, two-layer fit | The acceptor-rich interface occupied approximately 24 % of the total film thickness; the acceptor volume fraction was approximately 91 % at the ZnO/blend interface |
| SANS, DAB and power-law fits | Correlation length, ξ: 10.9 ± 0.2 nm; scattering exponent, α: 2.77 ± 0.05 |
|---|---|
| AFM | Root-mean-square surface roughness: 2.9 nm; the surface was smooth with fine features |
| Neutron reflectometry, two-layer fit | The acceptor-rich interface occupied approximately 20 % of the total film thickness; the acceptor volume fraction was approximately 89 % at the ZnO/blend interface |