Related papers: Open-shell TADF: Quartet-derived luminescence with…
To elucidate the high external quantum efficiency observed for organic light-emitting diodes using a bisanthracene derivative, BD1, as the emitting molecule, off-diagonal vibronic coupling constants (VCCs) between the excited states of BD1,…
The development of analytic-gradient methodology for excited states within conventional time-dependent density-functional theory (TDDFT) would seem to offer a relatively inexpensive alternative to better established quantum-chemical…
Photoexcited organic chromophores appended to molecular qubits can serve as a source of spin initialization or multi-level qudit generation for quantum information applications. So far, this approach has been primarily investigated in…
Long-lived emissive materials based on room temperature phosphorescence (RTP) and thermally activated delayed fluorescence (TADF) are considered as the cornerstone of the development of optical sensors, security systems and solid-state…
Multi-resonance thermally activated delayed fluorescence (MR-TADF) materials have garnered significant research interest owing to their remarkably narrow emission spectra with full width at half maximum (FWHM) below $40~\text{nm}$,…
We designed and synthesized a new organic light-emitting diode (OLED) emitter, SBABz4, containing spiro-biacridine donor (D) in the core surrounded by two benzonitrile acceptors (A). The dual A-DxD-A structure is shown to provide pure-blue…
As carriers slowly move through a disordered energy landscape in organic semiconductors, tiny spatial variations in spin dynamics relieve spin blocking at transport bottlenecks or in the electron-hole recombination process that produces…
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…
As emphasized in a recent review article [Chem. Rev. 122, 14180 (2022)], organic solar cell (OSC) photoconversion efficiency has been rapidly evolving with results increasingly comparable to those of traditional inorganic solar cells.…
The computational design of heteroatom-doped organic dyes for dye-sensitized solar cells (DSSCs) remains challenging, as predictive methods must accurately describe long-range charge-transfer (CT) excitations while remaining computationally…
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…
The tunability of materials properties by light promises a wealth of future applications in energy conversion and information technology. Strongly correlated materials such as transition-metal dichalcogenides (TMDCs) offer optical control…
Topological photonics have been garnering widespread interest in engineering the flow of light with topological ideas. Strikingly, the recent introduction of higher-order topological insulators has generalized the fundamental framework of…
We present the development of multifunctional blue-emission organic light-emitting diodes (OLEDs) using TADF-exciplex materials. These OLEDs exhibit sensitivity to external stimuli and achieve a maximum external quantum efficiency (EQE) of…
Open-shell molecules rarely fluoresce, due to their typically faster non-radiative relaxation rates compared to closed-shell ones. Even rarer is the fluorescence from states that have two more unpaired electrons than the open-shell ground…
High-spin molecules allow for bottom-up qubit design and are promising platforms for magnetic sensing and quantum information science. Optical addressability of molecular electron spins has also been proposed in first-row transition metal…
Optical control and read-out of the ground state spin structure has been demonstrated for defect states in crystalline semiconductors, including the diamond NV- center, and these are promising systems for quantum technologies. Molecular…
Thermally activated delayed fluorescence has been reported in a number of OLED emitter materials engineered to have low singlet-triplet energy gaps. Here we derive closed solutions for steady state and transient behaviors, and apply these…
Thermally activated delayed fluorescence (TADF) emitters are essential for next-generation, high-efficiency organic light-emitting diodes (OLEDs), yet their rational design is hampered by the high computational cost of accurate…
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…