Reducing the Singlet-Triplet Energy Gap by End-Group π-π Stacking Toward High-Efficiency Organic Photovoltaics.
Sign Up to like & getrecommendations! Published in 2020 at "Advanced materials"
DOI: 10.1002/adma.202000975
Abstract: To improve the power conversion efficiencies for organic solar cells, it is necessary to enhance light absorption and reduce energy loss simultaneously. Both the lowest singlet (S1) and triplet (T1) excited states need to energertically… read more here.
Keywords: singlet triplet; energy; triplet; end group ... See more keywords
Diarylethenes with a Narrow Singlet–Triplet Energy Gap Sensitizer: a Simple Strategy for Efficient Visible‐Light Photochromism
Sign Up to like & getrecommendations! Published in 2018 at "Advanced Optical Materials"
DOI: 10.1002/adom.201700847
Abstract: All-organic visible-light photochromism is reported here via a novel strategy with narrow singlet–triplet energy gap (ΔEST) materials as a sensitizer. Taking advantage of the narrow ΔEST feature an ... read more here.
Keywords: narrow singlet; triplet energy; singlet triplet; visible light ... See more keywords
Substitution Conformation Balances the Oscillator Strength and Singlet–Triplet Energy Gap for Highly Efficient D–A–D Thermally Activated Delayed Fluorescence Emitters
Sign Up to like & getrecommendations! Published in 2019 at "Advanced Optical Materials"
DOI: 10.1002/adom.201801767
Abstract: Four donor–acceptor–donor region isomers (2,3‐TXO‐PhCz, 2,6‐TXO‐PhCz, 2,7‐TXO‐PhCz, and 3,6‐TXO‐PhCz) are designed. The substitution positions of the two PhCz units significantly impact the photophysical properties of the isomers, especially for the singlet–triplet energy splitting (ΔEST) and… read more here.
Keywords: phcz txo; singlet triplet; phcz; triplet energy ... See more keywords
Enhancing Reverse Intersystem Crossing with Extended Inverted Singlet–Triplet (X−INVEST) Systems
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Optical Materials"
DOI: 10.1002/adom.202402765
Abstract: The discovery of triangular‐shaped molecules displaying an inverted singlet–triplet (INVEST) energy gap between their lowest singlet (S1) and triplet (T1) states opened the way for a new strategy to increase the internal quantum efficiency (IQE)… read more here.
Keywords: singlet; enhancing reverse; inverted singlet; singlet triplet ... See more keywords
N‐Heterocyclic Carbenes: A Benchmark Study on their Singlet–Triplet Energy Gap as a Critical Molecular Descriptor
Sign Up to like & getrecommendations! Published in 2025 at "Chemphyschem"
DOI: 10.1002/cphc.202500012
Abstract: N‐heterocyclic carbenes (NHCs) are used extensively in modern chemistry and materials science. The in‐depth understanding of their electronic structure and their metal complexes remains an important topic of research and of experimental and theoretical interest.… read more here.
Keywords: benchmark study; descriptor; heterocyclic carbenes; gap ... See more keywords
Structural stability and the low‐lying singlet and triplet states of BN‐n‐acenes, n = 1–7
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27038
Abstract: The chemical stability and the low‐lying singlet and triplet excited states of BN‐n‐acenes (n = 1–7) were studied using single reference and multireference methodologies. From the calculations, descriptors such as the singlet‐triplet splitting, the natural… read more here.
Keywords: stability low; singlet triplet; lying singlet; low lying ... See more keywords
A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.70044
Abstract: The energies and geometries of the lowest lying singlet and triplet states of the four diradicals formed by removing two H atoms from thiophene have been characterized. We utilized the highly correlated, multireference methods configuration… read more here.
Keywords: states four; singlet; lowest lying; singlet triplet ... See more keywords
Phenomenological consistency of the singlet-triplet scotogenic model
Sign Up to like & getrecommendations! Published in 2019 at "Journal of High Energy Physics"
DOI: 10.1007/jhep04(2020)134
Abstract: We perform a complete analysis of the consistency of the singlet-triplet scotogenic model, where both dark matter and neutrino masses can be explained. We determine the parameter space that yields the proper thermal relic density… read more here.
Keywords: dark matter; model; scotogenic model; singlet triplet ... See more keywords
Analysis of Effect of Singlet-Triplet Annihilation in a Low-Threshold Optically Pumped Organic Semiconductor Laser
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Electronic Materials"
DOI: 10.1007/s11664-017-5624-4
Abstract: We investigate the impact of optical excitation in a low-threshold organic semiconductor vertical-cavity surface-emitting laser (OVCSEL) to achieve lasing. We study the threshold behavior and the dynamics of the optimized OVCSEL structure when pumped by… read more here.
Keywords: annihilation; singlet triplet; threshold; organic semiconductor ... See more keywords
Accurate estimation of singlet-triplet gap of strongly correlated systems by CCSD(T) method using improved orbitals
Sign Up to like & getrecommendations! Published in 2021 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2021.113326
Abstract: Abstract An accurate estimation of the singlet–triplet gap is key to various important chemical phenomena ranging from the designing of solar energy cell to organic light emitting diodes. The present work estimates the singlet–triplet gap… read more here.
Keywords: triplet gap; singlet triplet; method;
Carbazole-dendronized thermally activated delayed fluorescent molecules with small singlet-triplet gaps for solution-processed organic light-emitting diodes
Sign Up to like & getrecommendations! Published in 2018 at "Dyes and Pigments"
DOI: 10.1016/j.dyepig.2018.02.018
Abstract: Abstract Based on a multi-carbazole encapsulation strategy, two novel solution-processable thermally activated delayed fluorescence (TADF) molecules, named 2,8-bis(2,7-bis(3,6-di-tert-butyl-9H-carbazol-9-yl)-9,9-dimethylacridin-10(9H)-yl)dibenzo[b,d]thiophene 5,5-dioxide (1CzAcDBTO) and 2,8-bis(9,9-dimethyl-2,7-bis(3,3″,6,6″-tetra-tert-butyl-9′H-[9,3':6′,9″-tercarbazol]-9′-yl)acridin-10(9H)-yl)dibenzo[b,d]thiophene 5,5-dioxide (2CzAcDBTO), were synthesized. Both compounds exhibit excellent thermal stability and a small… read more here.
Keywords: singlet triplet; carbazole dendronized; thermally activated; activated delayed ... See more keywords