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Donor-acceptor (D-A) type thermally activated delayed fluorescence (TADF), a key technology of proposed Gen3 organic light emitting diodes (OLEDs), is highly sensitive to the rigidity and polarity of the local environment. Specifically, the…

应用物理 · 物理学 2025-10-30 Björn Ewald , Theodor Kaiser , Thomas Fleischmann , Jens Pflaum

The determination of transport mechanisms in organic light-emitting diodes (OLEDs) is crucial for optimizing device performance. Magnetic field measurements enable the differentiation of spin state interconversion mechanisms, but data…

Thermally activated delayed fluorescence (TADF) offers the promise of highly efficient organic light emitting diodes (OLEDs), without the heavy metals requirement of the previous generation of OLEDs. However, the design of new TADF emitters…

化学物理 · 物理学 2025-05-16 Kritam Thapa , Jennifer I. Jones , Laura E. Ratcliff

We analyze internal transition rates and the singlet-triplet energy gap of the thermally activated delayed fluorescence (TADF) molecule 3CzClIPN, which recently was introduced as an efficient photocatalyst. Distribution and origin of the…

The great progress in organic photovoltaics (OPV) over the past few years has been largely achieved by the development of non-fullerene acceptors (NFAs), with power conversion efficiencies now approaching 20%. To further improve device…

The Tamm-Dancoff Approximation (TDA) offers a computationally efficient alternative to full linear-response Time-Dependent Density Functional Theory (TDDFT) for calculating electronic excited states, particularly in large molecular systems.…

化学物理 · 物理学 2025-07-02 Muhammed A. Dada , Sarah Pak , Matthew N. Ward , Megan Simons , Daniel R. Nascimento

We present a computationally efficient framework for predicting the excited-state properties of thermally activated delayed fluorescence (TADF) emitters, integrating extended tight-binding (\xtb), simplified Tamm-Dancoff approximation…

The efficiency of an organic light-emitting diode (OLED) is fundamentally governed by the spin of recombining electron-hole pairs (singlet and triplet excitons), since triplets cannot usually emit light. The singlet-triplet energy gap, a…

Organic light-emitting diodes (OLEDs) have redefined lighting with their environment-friendliness and flexibility. However, only 25 % of the electronic states of organic molecules can emit light upon electrical excitation, limiting the…

材料科学 · 物理学 2025-02-17 Olli Siltanen , Kimmo Luoma , Andrew J. Musser , Konstantinos S. Daskalakis

Narrowband emission is crucial for next generation optoelectronic devices to satisfy demands for high color brilliance. Microcavities can narrow emission spectra of organic light-emitting diodes (OLEDs) through the creation of resonant…

Study of the dephasing in electronic systems is not only important for probing the nature of their ground states, but also crucial to harnessing the quantum coherence for information processing. In contrast to well-studied conventional…

介观与纳米尺度物理 · 物理学 2017-07-14 Jian Liao , Yunbo Ou , Haiwen Liu , Ke He , Xucun Ma , Qi-Kun Xue , Yongqing Li

Novel thermally activated delayed fluorescence (TADF) material with diphenyl sulfone (DPS) as an electron acceptor and 3,6-dimethoxycarbazole (DMOC) and 1,3,6,8-Tetramethyl-9H-carbazole (TMC) as electron donors were investigated…

化学物理 · 物理学 2016-09-21 Geon Hyeong Lee , Young Sik Kim

The kinetics of the charge carrier recombination in dye molecule-doped multilayer organic light-emitting diodes (OLEDs) was quantified by transient electroluminescence (EL). Three sets of dye molecules, such as derivatives of naphthalimide…

材料科学 · 物理学 2014-11-13 Shengwei Shi , Feng Gao , Zhengyi Sun , Yiqiang Zhan , Mats Fahlman , Dongge Ma

The triplet harvesting is a main challenge in organic light-emitting devices (OLEDs), due to the radiative decay of triplet is spin-forbidden. Here, we designed and synthesized two D-A type molecules, TPA-TAZ and TCP. The OLEDs based on…

化学物理 · 物理学 2015-09-26 Ablikim Obolda , Qiming Peng , Chuanyou He , Tian Zhang , Jiajun Ren , Hongwei Ma , Zhigang Shuai , Feng Li

Despite the variety of available computational approaches, state-of-the-art methods for calculating excitation energies such as time-dependent density functional theory (TDDFT), are computationally demanding and thus limited to moderate…

化学物理 · 物理学 2022-03-10 Martina Stella , Kritam Thapa , Luigi Genovese , Laura E. Ratcliff

Here, a novel deep blue emitter SBABz4 for use in organic light-emitting diodes (OLED) is investigated. The molecular design of the emitter enables thermally activated delayed fluorescence (TADF), which we examine by temperature-dependent…

We present an implementation of Triplet Excitation-Energy Transfer (TEET) couplings based on subsystem-based Time-Dependent Density-Functional Theory (sTDDFT). TEET couplings are systematically investigated by comparing "exact" and…

化学物理 · 物理学 2023-12-13 Sabine Käfer , Niklas Niemeyer , Johannes Tölle , Johannes Neugebauer

The bilayers of Transition Edge Sensors (TESs) are often modified with additional normal-metal features such as bars or dots. Previous device measurements suggest that these features improve performance, reducing electrical noise and…

天体物理仪器与方法 · 物理学 2017-08-02 Rebecca C. Harwin , David J. Goldie , Stafford Withington

We investigate the viability of highly efficient organic solar cells (OSCs) based on non-fullerene acceptors (NFA) by taking into consideration efficiency loss channels and stability issues caused by triplet excitons (TE) formation. OSCs…

Upconversion of low-energy photons to higher-energy photons provides an opportunity to surpass traditional limitations in fields such as 3D printing, photovoltaics, and photocatalysis. Triplet--triplet annihilation upconversion (TTA-UC) is…