Materials Explorer · Scientific record

Evidence-aware scientific record. Interpret measurements within their reported conditions.

OLED-M-0004

D-5CzBN

TADF emitter · blue TADF · perdeuterated isotopologue

M3 identity · Source-linked statistical isotopologue ensemble

Reported bulk deuteration: 99%; no unique site-specific isotopologue is asserted.

OLED-M-0004: owner-approved molecular artwork. Certified nondeuterated 5CzBN parent only; sample bulk deuteration 99%. No unique isotopologue assigned. — Certified nondeuterated 5CzBN parent only; sample bulk deuteration 99%. No unique isotopologue assigned.

Molecular identity and structural identifiers

Statistical deuteration sample — not one exact isotopologue. The molecular formula, SMILES and InChIKey below describe the certified nondeuterated parent only, not the measured deuterated sample.

Identity classification: Source-linked statistical isotopologue ensemble
Certified nondeuterated parent: OLED-M-0003
Reported bulk deuteration: 99% D (not site-resolved)
Molecular formula: C67H40N6 (parent only)
Canonical isomeric SMILES: N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
PARENT_ONLY — not isotope-specific sample SMILES
InChIKey: XAARDWSLAZLSJR-UHFFFAOYSA-N (parent only)
Certified source SDF SHA256: 01D26C08075D46368ABED0A5CB335954116F90E7376FCE3777098CA78C2935BF (parent graph SDF)
Scientific certification: CERTIFIED_SOURCE_LINKED_ISOTOPOLOGUE_ENSEMBLE
Deuteration evidence locator: Supplementary Note 1 PDF pp.4–5; deuteration assay in Supplementary Note 2 PDF p.6
Identity evidence: M3 Ten_Material_Identity_Closure_v1.json; identity-only sidecar, not an RC2 numerical data change

No unique sample-wide isotope-specific molecular formula, SMILES, InChIKey, or site occupancy distribution is certified. Parent identifiers must not be exported as identifiers of the deuterated sample.

8Experimental observations

1Device / application contexts

0Published calculated properties

1Primary sources

Experimental photophysics (8 records)

Every reported value retains its own host, medium, sample phase, temperature, method and locator. PL decay time is not OLED operational lifetime. Rows are not a cross-material ranking.

Property	Reported value	Medium / context	Source location & evidence
PLQY_solution	88%	N2-saturated toluene solution; emitter concentration 10^-5 mol L^-1 Full measurement conditions temperature note Measurement temperature not explicitly specified in the source table/figure for this value; do not assume 298 K. value kind AUTHOR_REPORTED method note Absolute/relative PLQY type not independently specified in this table; source reports ΦPL. uncertainty Not reported solvent toluene measurement photoluminescence canonical parameter PLQY sample phase solution determination class SOURCE_REPORTED_EXPERIMENTAL_OBSERVATION	Main article p. 519 (PDF page 4), Table 1, ΦPL^a; N2-saturated toluene 10^-5 mol L^-1 PRIMARY_REPORTED Source record / DOI ↗
prompt_PL_decay_time_solution	5.2 ns	N2-saturated toluene solution; emitter concentration 10^-5 mol L^-1 Full measurement conditions temperature note Measurement temperature not explicitly specified in the source table/figure for this value; do not assume 298 K. value kind AUTHOR_REPORTED method note Photophysical PL transient, not device lifetime. uncertainty Not reported solvent toluene measurement photoluminescence canonical parameter TAU_PROMPT_PL sample phase solution determination class AUTHOR_FITTED_EXPERIMENTAL_DECAY	Main article p. 519 (PDF page 4), Table 1, τp^a PRIMARY_REPORTED Source record / DOI ↗
delayed_PL_decay_time_solution	11.4 μs	N2-saturated toluene solution; emitter concentration 10^-5 mol L^-1 Full measurement conditions temperature note Measurement temperature not explicitly specified in the source table/figure for this value; do not assume 298 K. value kind AUTHOR_REPORTED method note Photophysical delayed PL decay, not OLED operational LT80. uncertainty Not reported solvent toluene measurement photoluminescence canonical parameter TAU_DELAYED_PL sample phase solution determination class AUTHOR_FITTED_EXPERIMENTAL_DECAY	Main article p. 519 (PDF page 4), Table 1, τd^a PRIMARY_REPORTED Source record / DOI ↗
PLQY_film	87%	100 nm co-doped film; 15 wt% emitter in SiCzCz/SiTrzCz2 (55:30 wt% reported host components) Full measurement conditions temperature note Measurement temperature not explicitly specified in the source table/figure for this value; do not assume 298 K. value kind AUTHOR_REPORTED uncertainty Not reported host SiCzCz / SiTrzCz2 doping 15 wt% — basis: fraction of total 100 nm emissive film; 55 wt% SiCzCz + 30 wt% SiTrzCz2 measurement photoluminescence canonical parameter PLQY sample phase film determination class SOURCE_REPORTED_EXPERIMENTAL_OBSERVATION	Main article p. 519 (PDF page 4), Table 1 ΦPL^c; SI p.24 (PDF page25), Supplementary Table 2 PRIMARY_REPORTED Source record / DOI ↗
prompt_PL_decay_time_film	28.8 ns	100 nm co-doped film; 15 wt% emitter in SiCzCz/SiTrzCz2 (55:30 wt% reported host components) Full measurement conditions temperature note Measurement temperature not explicitly specified in the source table/figure for this value; do not assume 298 K. value kind AUTHOR_REPORTED method note SI Table 2 film lifetime (15 wt%), not main Table 1 solution lifetime. uncertainty Not reported host SiCzCz / SiTrzCz2 doping 15 wt% — basis: fraction of total 100 nm emissive film; 55 wt% SiCzCz + 30 wt% SiTrzCz2 measurement photoluminescence canonical parameter TAU_PROMPT_PL sample phase film determination class AUTHOR_FITTED_EXPERIMENTAL_DECAY	SI p.24 (PDF page 25), Supplementary Table 2 τp (15 wt%, 100 nm) PRIMARY_REPORTED Source record / DOI ↗
delayed_PL_decay_time_film	14.5 μs	100 nm co-doped film; 15 wt% emitter in SiCzCz/SiTrzCz2 (55:30 wt% reported host components) Full measurement conditions temperature note Measurement temperature not explicitly specified in the source table/figure for this value; do not assume 298 K. value kind AUTHOR_REPORTED uncertainty Not reported host SiCzCz / SiTrzCz2 doping 15 wt% — basis: fraction of total 100 nm emissive film; 55 wt% SiCzCz + 30 wt% SiTrzCz2 measurement photoluminescence canonical parameter TAU_DELAYED_PL sample phase film determination class AUTHOR_FITTED_EXPERIMENTAL_DECAY	SI p.24 (PDF page 25), Supplementary Table 2 τd (15 wt%, 100 nm) PRIMARY_REPORTED Source record / DOI ↗
PL_emission_peak_film	476 nm	100 nm co-doped film; 15 wt% emitter in SiCzCz/SiTrzCz2 (55:30 wt% reported host components) Full measurement conditions temperature note Measurement temperature not explicitly specified in the source table/figure for this value; do not assume 298 K. value kind AUTHOR_REPORTED uncertainty Not reported host SiCzCz / SiTrzCz2 doping 15 wt% — basis: fraction of total 100 nm emissive film; 55 wt% SiCzCz + 30 wt% SiTrzCz2 measurement photoluminescence canonical parameter PL_PEAK sample phase film determination class SOURCE_REPORTED_EXPERIMENTAL_OBSERVATION	Main article p. 519 (PDF page 4), Figure 2c/d, annotated λmax PRIMARY_REPORTED Source record / DOI ↗
PL_FWHM_film	65 nm	100 nm co-doped film; 15 wt% emitter in SiCzCz/SiTrzCz2 (55:30 wt% reported host components) Full measurement conditions temperature note Measurement temperature not explicitly specified in the source table/figure for this value; do not assume 298 K. value kind AUTHOR_REPORTED uncertainty Not reported host SiCzCz / SiTrzCz2 doping 15 wt% — basis: fraction of total 100 nm emissive film; 55 wt% SiCzCz + 30 wt% SiTrzCz2 measurement photoluminescence canonical parameter PL_FWHM sample phase film determination class SOURCE_REPORTED_EXPERIMENTAL_OBSERVATION	Main article p. 519 (PDF page 4), Figure 2c/d, annotated FWHM PRIMARY_REPORTED Source record / DOI ↗

OLED device and application evidence (1)

Device EQE, electroluminescence and lifetime refer to specified devices and operating conditions, not intrinsic constants of the emitter.

Device / application record 1 — Source-reported blue TADF OLED using D-5CzBN as emitter; device-specific performance from main Table 2 and 1000 cd/m² operating context

Evidence trail:Source record / DOI ↗

Main paper p. 521, Table 2, EQE Maximum; luminance of peak EQE not specified in table
Main paper p. 521, Table 2; EQE @1,000 cd m^-2
Main paper p. 521 Table 2 and p.520 Figure 3f, initial luminance 1,000 cd m^-2

reported context: Source-reported blue TADF OLED using D-5CzBN as emitter; device-specific performance from main Table 2 and 1000 cd/m² operating context
primary source id: SRC-HUANG-2024-NATPHOT
EQE max reported: 29 percent — source locator: Main paper p. 521, Table 2, EQE Maximum; luminance of peak EQE not specified in table
EQE 1000cdm2 reported: 25.2 percent — source locator: Main paper p. 521, Table 2; EQE @1,000 cd m^-2; operating luminance: 1000 cd/m²
LT80 reported: 210 h — initial luminance: 1000 cd/m²; source locator: Main paper p. 521 Table 2 and p.520 Figure 3f, initial luminance 1,000 cd m^-2
notebook status: SOURCE_LINKED_EDITORIAL_EVIDENCE_NOT_DEVICE_DATABASE_RECORD
limitation: Specific architecture and initial operating conditions required for device EQE/lifetime; values are NOT intrinsic photophysical material properties. Device EQEmax @unknown brightness, EQE @1000 cd/m², LT80 @initial1000 cd/m² are different metrics. No statement of industrial readiness from this comparison alone.

Theoretical / calculated properties (0)

These are author-published model outputs, not independent experimental measurements. Compare only within compatible calculation methods, geometries and states.

No linked theoretical properties reported.

Primary scientific sources

Enhancing the efficiency and stability of blue thermally activated delayed fluorescence emitters by perdeuteration

Huang et al. · Nature Photonics · 2024

DOI 10.1038/s41566-024-01379-1

Source ID: SRC-HUANG-2024-NATPHOT

Solution 10^-5 M under N2 and 15 wt% 100 nm cohost films are distinct. Table 1 kinetic rates and SI Table 2 rates are model-derived via supplemental methods A/B, not DFT calculated energies. No individual experimentally determined vacuum-referenced HOMO/LUMO and S₁/T₁ source values were source-locked for these four materials in this pass. The source also includes 70%D-5tCzBN, which is not added to this four-record batch.

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Identity, evidence and limitations

Current M3 identity closure: Source-linked statistical isotopologue ensemble.

Source discrepancies

Reported source discrepancy

Corresponding source record / DOI ↗ · Main p.519 Fig.2c/d + Table 1; SI Fig.7 and Supplementary Table 2

issue id: 2C-F004
source id: SRC-HUANG-2024-NATPHOT
severity: CONTEXT_CAUTION
locator: Main p.519 Fig.2c/d + Table 1; SI Fig.7 and Supplementary Table 2
description: 15 wt% film values and 20 wt% SI Fig.7 transient plots describe different preparations; do not merge their contexts.
affected area: Huang film observations
disposition: CONTEXT_DISTINCTION_PRESERVED

Displayed molecular artwork is tied to owner-approved files. Deuterated samples show only their certified nondeuterated parent skeleton.