DABNA-1
OLED-M-0001 · Exact graph (M3)
Experimental observations
PL PEAK
460 nm
Medium: vacuum-deposited film; DABNA-1 1 wt% in mCBP
Host: mCBP
Temperature: 298 K
Doping: 1 wt% (emitter in host)
Evidence: SRC-HATAKEYAMA-2016 · Main article p. 2779, Table 1
PL FWHM
30 nm
Medium: vacuum-deposited film; DABNA-1 1 wt% in mCBP
Host: mCBP
Temperature: 298 K
Doping: 1 wt% (emitter in host)
Evidence: SRC-HATAKEYAMA-2016 · Main article p. 2779, Table 1
PLQY
88%
Medium: vacuum-deposited film; DABNA-1 1 wt% in mCBP
Host: mCBP
Temperature: 300 K
Doping: 1 wt% (emitter in host)
Evidence: SRC-HATAKEYAMA-2016 · Main article p. 2780, Table 2
TAU DELAYED PL
93.7 μs
Medium: vacuum-deposited film; DABNA-1 1 wt% in mCBP
Host: mCBP
Temperature: 300 K
Doping: 1 wt% (emitter in host)
Evidence: SRC-HATAKEYAMA-2016 · Main article p. 2780, Table 2
Published theoretical calculations
HOMO (Kohn–Sham orbital energy)
-4.74 eV
Method: DFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S0; geometry: S0
Evidence: SRC-HATAKEYAMA-2016 · Main Figure 2 (p. 2778); SI Figure S2 (p. S-8)
Kohn–Sham orbital eigenvalue, not measured oxidation potential or electron affinity.
LUMO (Kohn–Sham orbital energy)
-1.08 eV
Method: DFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S0; geometry: S0
Evidence: SRC-HATAKEYAMA-2016 · Main Figure 2 (p. 2778); SI Figure S2 (p. S-8)
Kohn–Sham orbital eigenvalue, not measured oxidation potential or electron affinity.
TRANSITION WAVELENGTH
395.71 nm
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S0; geometry: S0
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
TRANSITION ENERGY
3.1332 eV
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S0; geometry: S0
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
OSCILLATOR STRENGTH
0.2047 dimensionless
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S0; geometry: S0
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
TRANSITION WAVELENGTH
469.72 nm
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S0; geometry: S0
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
TRANSITION ENERGY
2.6395 eV
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S0; geometry: S0
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
OSCILLATOR STRENGTH
0 dimensionless
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S0; geometry: S0
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Published f=0.0000 is rounded at reported precision; not independently proven exactly zero.
TRANSITION WAVELENGTH
427.99 nm
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S1; geometry: S1
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
TRANSITION ENERGY
2.8969 eV
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S1; geometry: S1
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
OSCILLATOR STRENGTH
0.1388 dimensionless
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: S1; geometry: S1
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
TRANSITION WAVELENGTH
493.8 nm
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: T1; geometry: T1
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
TRANSITION ENERGY
2.5108 eV
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: T1; geometry: T1
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Source-reported gas-phase model output, not measured experimental value. Compare across methods/geometries only with explicit caveats.
OSCILLATOR STRENGTH
0 dimensionless
Method: TDDFT · CALC-HATAKEYAMA2016-B3LYP-631Gd-GAS-01
State: T1; geometry: T1
Evidence: SRC-HATAKEYAMA-2016 · SI Table S1 (p. S-7)
Published f=0.0000 is rounded at reported precision; not independently proven exactly zero.
OLED device contexts
Device: DABNA-1 OLED, 1 wt% doped in mCBP
Host: mCBP
Dopant: 1 wt%
EQE max reported
13.5 percent
Locator: Main paper pp. 2779–2780, discussion of Figure 3
Operating luminance: 0.6 cd/m2
EL peak reported
459 nm
Locator: Main paper p. 2779 text and p. 2780 Figure 3
Operating luminance: Not reported
EL FWHM reported
28 nm
Locator: Main paper p. 2779 text and p. 2780 Figure 3
Operating luminance: Not reported
Evidence: SRC-HATAKEYAMA-2016
Limitation: Specific 1 wt% OLED device, not intrinsic material performance; no device LT80/LT50 reported; see main p. 2780 and SI S-21.