High-throughput virtual screening for organic electronics: a comparative study of alternative strategies DOI Creative Commons
Ömer H. Omar, Marcos del Cueto, Tahereh Nematiaram

et al.

Journal of Materials Chemistry C, Journal Year: 2021, Volume and Issue: 9(39), P. 13557 - 13583

Published: Jan. 1, 2021

We present a review of the field high-throughput virtual screening for organic electronics materials focusing on sequence methodological choices that determine each protocol. These are in all screenings and addressing them systematically will lead to optimised workflows improve their applicability. consider range properties can be computed illustrate how accuracy determined depending quality size experimental datasets. The approaches generate candidates also extremely varied relative strengths weaknesses discussed. analysis is almost never limited identification top often new patterns structure-property relations most interesting findings such searches. reveals very dynamic constantly adapting match an evolving landscape applications, methodologies

Language: Английский

Dual-State Emission (DSE) in Organic Fluorophores: Design and Applications DOI
José L. Belmonte‐Vázquez, Yoarhy A. Amador‐Sánchez, Lizbeth A. Rodríguez-Cortés

et al.

Chemistry of Materials, Journal Year: 2021, Volume and Issue: 33(18), P. 7160 - 7184

Published: Sept. 15, 2021

Organic luminescent materials have attracted significant attention in the past few years due to their fascinating photophysical properties. Implementing these emissive organic compounds is now being actively pursued many applications solution (i.e., sensors, bioimaging) or solid forms optoelectronic devices data encryption). Despite advances development of compounds, there has been an increasing quest decade for where emission preserved both states, dual-state (DSE). These are expected detonate a myriad future. On this nascent topic, work addresses several factors that increase probability obtaining property based on precedent reports showing phenomenon. Therefore, review identifies and organizes different structural characteristics useful obtain compounds. In addition, it devised motivate discussion science community hopefully incentivize efforts research groups around world toward synthesis new emitters.

Language: Английский

Citations

182

Dynamics of Excitons in Conjugated Molecules and Organic Semiconductor Systems DOI
Oleg P. Dimitriev

Chemical Reviews, Journal Year: 2022, Volume and Issue: 122(9), P. 8487 - 8593

Published: March 17, 2022

The exciton, an excited electron-hole pair bound by Coulomb attraction, plays a key role in photophysics of organic molecules and drives practically important phenomena such as photoinduced mechanical motions molecule, photochemical conversions, energy transfer, generation free charge carriers, etc. Its behavior extended π-conjugated disordered films is very different rich compared with exciton inorganic semiconductor crystals. Due to the high degree variability systems themselves, not only exerts changes on that carry it but undergoes its own during all phases lifetime, is, birth, conversion transport, decay. goal this review give systematic comprehensive view molecular assemblies at evolution emphasis rates typical for dynamic picture various consequences above dynamics. To uncover variety behavior, details formation, conversion, direct reverse intersystem crossing, radiative nonradiative decay are considered systems, where these processes lead or influenced static disorder, distribution symmetry breaking, reactions, electron proton structural rearrangements, coupling vibrations intermediate particles, dissociation annihilation well.

Language: Английский

Citations

131

Persistent Room‐Temperature Phosphorescence from Purely Organic Molecules and Multi‐Component Systems DOI Creative Commons
Zhu Wu, Jörn Nitsch, Todd B. Marder

et al.

Advanced Optical Materials, Journal Year: 2021, Volume and Issue: 9(20)

Published: July 3, 2021

Abstract Recently, luminophores showing efficient room‐temperature phosphorescence (RTP) have gained tremendous interest due to their numerous applications. However, most phosphors are derived from transition metal complexes because of intrinsic fast intersystem crossing (ISC) induced by strong spin–orbit coupling (SOC) constants the heavy metal. Metal‐free RTP materials rare and become a promising field they inexpensive environmentally friendly. This review summarizes organic molecular with long triplet lifetimes at room temperature perspective whether stem or multi‐component system. Among purely phosphors, heteroatoms usually introduced into backbone in order boost singlet–triplet ISC rate constant. In systems, useful strategies such as host–guest, polymer matrix, copolymerization, supramolecular assembly provide rigid matrix restrict nonradiative pathways thus realizing ultralong RTP.

Language: Английский

Citations

122

Excited-State Intramolecular Proton Transfer Dyes with Dual-State Emission Properties: Concept, Examples and Applications DOI Creative Commons

Timothée Stoerkler,

Thibault Pariat,

Adèle D. Laurent

et al.

Molecules, Journal Year: 2022, Volume and Issue: 27(8), P. 2443 - 2443

Published: April 10, 2022

Dual-state emissive (DSE) fluorophores are organic dyes displaying fluorescence emission both in dilute and concentrated solution the solid-state, as amorphous, single crystal, polycrystalline samples or thin films. This comes contrast to vast majority of fluorescent which typically show intense but quenched media solid-state owing π-stacking interactions; a well-known phenomenon called aggregation-caused quenching (ACQ). On contrary, molecular rotors with significant number free rotations have been engineered strong aggregated-state thanks restriction intramolecular motions. is concept aggregation-induced (AIE). DSE far less explored despite fact that they at crossroad ACQ AIE phenomena allow targeting applications (bio-conjugation, sensing, imaging) (organic electronics, data encryption, lasing, luminescent displays). Excited-State Intramolecular Proton Transfer (ESIPT) particularly suitable engineer dyes. Indeed, ESIPT fluorescence, relies on phototautomerism between normal tautomeric species, characterized by along large Stokes’ shift, an enhanced photostability sensitivity close environment, feature prone be used bio-sensing. A drawback needs overcome their weak intensity solution, detrimental motions excited-state. Several strategies proposed regard. In past few years, growing examples DSE-ESIPT indeed emerged literature, enriching database such attractive review aims brief concise overview exploitation luminescence for optimization properties. perspective, synergistic approach synthesis, spectroscopy ab initio calculations has proven efficient tool construction fluorophores.

Language: Английский

Citations

87

An efficient solid-solution crystalline organic light-emitting diode with deep-blue emission DOI
Peifu Sun, Dan Liú, Feng Zhu

et al.

Nature Photonics, Journal Year: 2023, Volume and Issue: 17(3), P. 264 - 272

Published: Jan. 12, 2023

Language: Английский

Citations

59

Anomalous deep-red luminescence of perylene black analogues with strong π-π interactions DOI Creative Commons
Ningning Tang, Jiadong Zhou, Liangxuan Wang

et al.

Nature Communications, Journal Year: 2023, Volume and Issue: 14(1)

Published: April 6, 2023

Abstract Perylene bisimide (PBI) dyes are known as red, maroon and black pigments, whose colors depend on the close π−π stacking arrangement. However, contrary to luminescent monomers, deep-red PBI pigments commonly non- or only weakly fluorescent due (multiple) quenching pathways. Here, we introduce N -alkoxybenzyl substituted PBIs that contain π arrangement (exhibiting d ≈ 3.5 Å, longitudinal transversal displacements of 3.1 Å 1.3 Å); however, they afford emitters with solid-state fluorescence quantum yields ( Φ F ) up 60%. Systematic photophysical computational studies in solution solid state reveal a sensitive interconversion PBI-centred locally excited charge transfer state, which depends dihedral angle θ between benzyl alkoxy groups. This effectively controls emission process, enables high by circumventing common pathways observed for perylene analogues.

Language: Английский

Citations

47

Optical Phenomena in Molecule-Based Magnetic Materials DOI Creative Commons
Jakub J. Zakrzewski, Michał Liberka, Junhao Wang

et al.

Chemical Reviews, Journal Year: 2024, Volume and Issue: 124(9), P. 5930 - 6050

Published: April 30, 2024

Since the last century, we have witnessed development of molecular magnetism which deals with magnetic materials based on species, i.e., organic radicals and metal complexes. Among them, broadest attention was devoted to molecule-based ferro-/ferrimagnets, spin transition materials, including those exploring electron transfer, nanomagnets, such as single-molecule magnets (SMMs), qubits, stimuli-responsive materials. Their physical properties open application horizons in sensors, data storage, spintronics, quantum computation. It found that various optical phenomena, thermochromism, photoswitching characteristics, luminescence, nonlinear chiroptical effects, well responsivity external stimuli, can be implemented into Moreover, fruitful interactions these effects provide new cross-effects multifunctionality, enriching applications optical, electronic, devices. This Review aims show scope phenomena generated recent advances areas high-temperature photomagnetism, thermometry utilizing SMMs, addressability magneto-chiral dichroism, opto-magneto-electric multifunctionality. These findings are discussed context types accessible for classes

Language: Английский

Citations

38

Dopants Induce Persistent Room Temperature Phosphorescence in Triarylamine Boronate Esters DOI Creative Commons
Zhu Wu, Katrina Bergmann, Zachary M. Hudson

et al.

Angewandte Chemie International Edition, Journal Year: 2024, Volume and Issue: 63(12)

Published: Jan. 26, 2024

Abstract Purely organic materials exhibiting room temperature phosphorescence (RTP) are promising candidates for oxygen sensors and information encryption owing to their cost‐effective environmentally friendly nature. Herein, we report a bimolecular RTP system where DTBU acts as the guest TBBU serves host. In contrast previously reported results, find that both pure do not exhibit in solid state even under N 2 atmosphere. A DTBU/TBBU with low doping ratio (0.1 mol %) exhibits persistent yellowish‐green afterglow lifetime of 340 ms is highly sensitive oxygen. higher (10 maintains 179 air. Applications at varied ratios sensing demonstrated. We propose T 1 an energy transfer intermediate between n DTBU, ultimately leading generation RTP. Overall, this work demonstrates critical importance material purity design systems, how understanding host–guest enables photophysical properties be precisely tuned.

Language: Английский

Citations

27

Polymorphism‐Dependent Organic Room Temperature Phosphorescent Scintillation for X‐Ray Imaging DOI

Mengyang Dong,

Anqi Lv,

Xin Zou

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: 36(18)

Published: Jan. 25, 2024

Abstract Organic phosphorescent scintillating materials have shown great potential for applications in radiography and radiation detection due to their efficient utilization of excitons. However, revealing the relationship between molecule stacking radioluminescence scintillators is still challenging. This study reports on two phenothiazine derivatives with polymorphism‐dependent phosphorescence radioluminescence. The experiments reveal that significantly affects non‐radiation decay triplet excitons scintillators, which further determines scintillation performance under X‐ray irradiation. These exhibit high radio stability a low limit 278 nGys −1 . Additionally, application these radiography, based excited properties, demonstrated. findings provide guideline obtaining high‐performance by shedding light effect crystal packing organic molecules.

Language: Английский

Citations

25

Symphony of light: AIE and MFC in carbazole-based cyanostilbenes DOI Creative Commons
Ayesha Afrin,

Chinna Ayya Swamy P

Journal of Materials Chemistry C, Journal Year: 2024, Volume and Issue: 12(6), P. 1923 - 1944

Published: Jan. 1, 2024

Carbazole–cyanostilbene conjugates exhibit promising optical properties, including AIE and MFC. This review explores their diverse applications across various fields, highlighting unique characteristics potential impact.

Language: Английский

Citations

22