ν-DABNA-M MR-TADF：参照分子与 OLED 数据

结构

选择性后期双硼基化改变 B/N 共振骨架。两个标准 TADF 器件具有相同结构；另外的敏化器件比较则改变了器件层结构。

性能与功能

光谱选择性

发射峰和谱线宽度在明确指定的主体薄膜中测得。

分子变化与器件变化

结构修饰与敏化器件结构，分别考察产生可用光的不同环节。

器件与加工

1. 制备前体

   Buchwald–Hartwig C–N 偶联构建芳香族前体。

2. 控制硼基化位点

   可移除的氯基团引导一次硼基化；还原脱氯暴露后续反应位点。

3. 修饰发光体

   先经 BI₃ 介导的硼基化，再用 MesMgBr 处理，引入额外的硼位点。

Matched film measurements

1 wt% in PMMA; absolute PL quantum yield under N2.

Figure 4 labels spectra and decays at 300 K; methods state absorption/PL instruments operated at 298 K. No precision beyond the source is implied.

Difference of fluorescence and phosphorescence emission maxima at 77 K; phosphorescence delay 25 ms.

Authors inferred rate constants from quantum yields and fluorescence lifetimes; they are model-derived, not direct independent measurements.

No uncertainties supplied for the tabulated values.

From emitter to OLED

The modified emitter shows a 10 nm blue shift in the same PMMA-film conditions while retaining high PLQY.

At 1000 cd m−2 the modified emitter retains more of its peak EQE, but its directly excited TADF device has a shorter measured LT80.

Host, transport layers, sensitizer and emissive-layer thickness all change; differences are architecture-level associations, not an isolated sensitizer effect.

Standard TADF emitting layers: 1 wt% emitter in mCBP:DOBNA-Tol, 20 nm. PSF emitting layer: 1 wt% terminal emitter and 13 wt% PtON-TBBI in SiCzCz:SiTrzCz2, 35 nm. Host mixing ratios were not recovered from the accessible source.

EQE retention = 100 × EQE1000 / EQEmax. The chart points are published numeric figure labels, not raw spectra or a fitted device model.

Choose the brightness before ranking the blue OLEDs

All three devices have published numerical EQE labels at 10, 100 and 1000 cd m−2. Values below are discrete reported checkpoints; no missing point is interpolated and no full curve is reconstructed.

PSF-D3 minus TADF-D2: −5.5 pp at 10 cd m−2; −0.4 pp at 100 cd m−2; +5.5 pp at 1000 cd m−2. The sensitised device ranks below the standard TADF device at the first two checkpoints and above it at 1000 cd m−2. This does not establish an exact crossover luminance or statistical significance.

These are device-to-device EQE differences in percentage points, distinct from each device’s loss relative to its own peak. Matching luminance does not match current or excitation density, particularly when emission spectra differ. D2 versus D3 also changes host, sensitiser, transport layers and emitting-layer thickness.

Measured ageing conditions: TADF-D1, LT80 67 h from 100 cd m−2; TADF-D2, LT80 15 h from 100 cd m−2; PSF-D3, LT80 16 h from 1000 cd m−2. The different starting luminances prevent a direct D3/D2 lifetime ratio; the quoted 1010 h at 100 cd m−2 for D3 is an extrapolation.

• Hao et al. (2025), Figure 5: standard TADF devices
• Hao et al. (2025), Figure 6: sensitised device
• Hao et al. (2025), Table 2: measured lifetimes and device summaries

Measured operation and lifetime extrapolation

TADF-D1: LT80 = 67 h measured at initial luminance 100 cd m−2.

For PSF-D3, LT80(100 cd m−2) = 16 × (1000/100)^1.8 = 1009.53 h, rounded to 1010 h by the authors. An exponent sensitivity sweep is an assumption test, not a confidence interval. Changing the device stack does not isolate a causal sensitizer effect.

Published molecular transformation

Buchwald–Hartwig amination assembles the arylamine precursor. Pd2(dba)3 / SPhos / sodium tert-butoxide; toluene, 80 °C, 4 h; reported isolated yield 82%.

Chlorine-directed borylation builds the B/N multiple-resonance framework. BI3; o-dichlorobenzene, 100 °C, 8 h; reported isolated yield 40%.

Reductive dechlorination gives ν-DABNA-M. NaBH4 / NiCl2(dppe); dimethylacetamide, 110 °C, 17 h; reported isolated yield 90%.

Late-stage double borylation followed by mesityl addition gives ν-DABNA-M-B-Mes. BI3; o-dichlorobenzene, 100 °C, 14 h; then mesitylmagnesium bromide, 40 °C, overnight; reported isolated yield 48%.

Scope of this analysis

PMMA photophysics and device-host electroluminescence are separate experiments.

Spectral peaks and widths are tabulated summaries, not downloadable raw spectra.

No statistically supported significance test is possible without replicates or uncertainty.

A two-molecule comparison cannot establish a general structure–property law.

Do not compare lifetime values at different starting luminances without stating the conversion assumptions.

Computed photon energy at an emission maximum is not a measured transport gap.

More conjugation does not guarantee a redshift; heteroatom position and resonance topology matter.

Displayed source values are rounded: the new emitter PLQY is 0.93 in Table 1 and 0.931 in the SI; reported rates are not exactly reconstructible from every rounded lifetime.

PMMA 作为光致发光测试基体

PMMA 条目介绍了其碳主链、酯侧基、光学透明性，以及由甲基丙烯酸甲酯制备的过程。

2025 年研究在发光体含量为 1 wt% 的 PMMA 薄膜中测量了这对分子。PMMA 作为基体承载发光分子，用于比较它们的光学响应。

PMMA 样品用于测量光致发光。电学器件性能则在 OLED 自身的主体材料和层结构中测量。

• PMMA
• 甲基丙烯酸甲酯
• 加成聚合
• Hao et al. — supplementary information

芳基卤化物在 C–N 偶联中的作用

站内分别介绍了芳基碳–卤素键和芳香胺这两种结构特征。

这些研究先组装取代芳胺前体，再构建含硼骨架。2025 年路线使用了 Buchwald–Hartwig C–N 偶联。

苯胺用于说明芳香胺结构；已发表的合成需要具有特定取代基的前体及选择性偶联条件。

• 卤代芳烃
• 苯胺
• 苯的溴化
• 硝基苯的还原
• Hu et al. — supplementary information
• Late-stage direct double borylation of B/N-based multi-resonance framework enables high-performance ultra-narrowband deep-blue organic light-emitting diodes

共轭结构与发射能量

苯和联苯条目提供具体的芳香结构；已有低聚苯研究考察的是一组特定的吸收变化。

2025 年的分子对说明，“共轭越长、发光越红”并非普遍规则：在特定位置增加硼原子会改变电子分布，使发射蓝移。

低聚苯结果涉及另一系列分子的吸收。发射能量、前线轨道能量差和单重态–三重态能隙是不同的量。

• 苯
• 联苯
• 硼
• Late-stage direct double borylation of B/N-based multi-resonance framework enables high-performance ultra-narrowband deep-blue organic light-emitting diodes
• Quantitative prediction of rate constants and its application to organic emitters

Sources and reproducible analysis

Published measurements, source-derived rates and Mol2Mat calculations are identified separately. The downloads reproduce the analysis without claiming new synthesis, device fabrication or electronic-structure calculations.

• 分析 JSON
• 来源清单
• Condition-annotated data
• Film measurements CSV
• Device measurements CSV
• Measured and estimated lifetimes CSV
• article
• photophysics-table
• devices-table
• supplement

Density-dependent excited-state losses

conditional-normalized-steady-state-model

All defaults are illustrative dimensionless assumptions; no rate is assigned to a selected BNOO, BNSS, BNSSe or BNSeSe emitter.

Spatially uniform, steady generation in a two-excited-state kinetic system. S1/T1 are coarse-grained states, not a reduction fitted to the separate S1/T1/T2 calculation.

Fixed first-order coefficients, no state filling, heating, diffusion gradients, charge transport, polaron annihilation, phosphorescence, singlet-singlet annihilation or chemical degradation.

fS=.25 is an assumed electrical 1:3 singlet:triplet generation fraction. fS=1 describes pure singlet generation, not an entire optical experiment.

TTA f=.25 is the stated effective branch convention. It is not a measured universal spin yield.

STA destroys one singlet and leaves one triplet after rapid higher-triplet relaxation.

Both a and b scale proportionally with G for a fixed material; changing only one load is a channel-isolation counterfactual.

The interactive comparison varies dimensionless generation load kTT G / KS² and scales kST G / KS² with it. The two-state sensitivity model is separate from the material-specific three-state calculation. It does not convert a measured OLED curve into collision-rate constants.

kTT*T^2 is effective annihilating encounters per volume per time. At f=1/4 the singlet source is +(1/4)kTT*T^2 and triplet sink is -(5/4)kTT*T^2. The NET excitation-number loss is kTT*T^2, not 2*kTT*T^2.

• Density scenarios and method limits

An operando test of competing mechanisms, 2026

King et al., Uncovering the Origin of Efficiency Roll-Off in TADF OLEDs. 15 wt% 4CzIPN in mCBP; 30 nm emissive layer.

TTA was negligible in this device; STA and polaron quenching explained the measured roll-off.

SPA dominated below about 100 mA cm^-2.

STA dominated above about 100 mA cm^-2.

The adjacent normalised TTA/STA exercise is a sensitivity calculation. It neither uses these fitted coefficients as presets nor reproduces the measured 4CzIPN device, which also requires SPA, TPA, charge densities and device geometry.

The ± values below are one standard deviation from fitting. An additional estimated 20% uncertainty in generation rate is excluded. The TTA upper bound is based on the fit’s 95% confidence interval. No independent reprocessing of the source raw dataset is claimed.

• Uncovering the Origin of Efficiency Roll-Off in TADF OLEDs
• Published experimental dataset record

Evidence and limits

直接比较 2025 年研究中配套的薄膜和器件测量，并将寿命推算与实测工作寿命分开。

来源说明

参考文献

• Nature Communications 16, 8867 (2025) · Paper and supplementary information