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Thermally Activated Delayed Fluorescence (TADF) offers the premise for all-organic light emitting diodes with quantum efficiencies competing those of transition metal-based phosphorescent devices. While computational efforts have so far largely focused on gas-phase calculations of singlet and triplet excitation energies, the design of TADF materials requires multiple methodological developments targeting among others a quantitative description of electronic excitation energetics, fully accounting for environmental electrostatics and molecular conformational effects, the accurate assessment of the quantum-mechanical interactions that trigger the elementary electronic processes involved in TADF, as well as a robust picture for the dynamics of these fundamental processes. In this perspective, we describe some recent progress along those lines and highlight the main challenges ahead for modeling, which we hope will be useful to the whole TADF community.
This article was published in the following journal.
Name: The journal of physical chemistry letters
Organic nanoparticles (O-dots) with a high photoluminescence quantum yield (94%) and long-lived delayed emission (3.1 μs) originating from thermally activated delayed fluorescence (TADF) were develop...
Recently, organic light-emitting diodes (OLEDs) employing thermally activated delayed fluorescence (TADF) materials have aroused huge attention in both academia and industry. Compared with fluorescent...
New types of [2.2]paracyclophane derivatives, g-BNMe-Cp and m-BNMe-Cp, in which electron-donating NMe and the electron-accepting BMes are introduced at the pseudo -gem and pseudo -meta positions, were...
Harvesting non-emissive spin-triplet charge-transfer (CT) excitons of organic semiconductors is fundamentally important for increasing the operation efficiency of future devices. We observed thermally...
According to one experimentally reported thermally activated delayed fluorescence (TADF) emitter (AcDPA-2TP), two new molecules (AcDPA-2PP and AcDPA-TPP) have been designed theoretically to probe into...
Background: Many factors play a role when selecting an appropriate suture for optimal soft tissue healing in oral surgery. Moreover, the oral cavity has its specific challenges: it is an a...
This evaluation seeks to assess the impact of a training program on childcare center environments and child/caregiver wellbeing in El Salvador. Through a longitudinal, randomized control t...
The 105-15-201 study is designed to assess the effectiveness and tolerability of the combination of heat-activated target therapy (radiotherapy + hyperthermia + lyso-thermosensitive liposo...
Computational simulation will be performed to represent motion of knees with a dislocating kneecap. Common surgical treatment methods will be simulated and anatomical parameters commonly a...
This is a new platform in non-myeloablative allogeneic stem cell transplantation to improve survival by harnessing the immunologic potential of donor T-cells to induce and maintain long-te...
An approach, process, or methodology which emphasizes credible evidence and the best available scientific knowledge, judiciously integrated to achieve the best possible outcomes in structural design. For example, the design of a new OUTPATIENT CLINIC might incorporate a review of published research on outpatient clinic design, decisions on similar past projects, along with interviews with staff and consumers.
Measurement of the intensity and quality of fluorescence.
The number of CD4-POSITIVE T-LYMPHOCYTES per unit volume of BLOOD. Determination requires the use of a fluorescence-activated flow cytometer.
An analytical method for detecting and measuring FLUORESCENCE in compounds or targets such as cells, proteins, or nucleotides, or targets previously labeled with FLUORESCENCE AGENTS.
The transport of materials through a cell. It includes the uptake of materials by the cell (ENDOCYTOSIS), the movement of those materials through the cell, and the subsequent secretion of those materials (EXOCYTOSIS).