Publication

Symmetry-Induced Singlet-Triplet Inversions in Non-Alternant Hydrocarbons

Publications associées (43)

Graph Chatbot

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Connectez-vous pour utiliser Chat avec Graph Search

'Fraternal-twin' ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

Michele Kotiuga

In ferroelectric switching, an applied electric field switches the system between two polar symmetry-equivalent states. In this work, we use first-principles calculations to explore the polar states of hydrogen-doped samarium nickelate (SNO) at a concentra ...

Iop Publishing Ltd2024

Dynamic nuclear polarisation of 1H in Gd-doped In(OH)3

David Lyndon Emsley, Michael Allan Hope, Yuxuan Zhang, Amrit Venkatesh

Dynamic nuclear polarisation (DNP) of solids doped with high-spin metal ions, such as Gd3+, is a useful strategy to enhance the nuclear magnetic resonance (NMR) sensitivity for these samples. Spin diffusion can relay polarisation throughout a sample, which ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2023

Molecules where the first excited singlet state is lower in energy than the first excited triplet state have the potential to revolutionize OLEDs. This inverted singlet-triplet gap violates Hund's rule and currently there are only a few molecules which are ...

ROYAL SOC CHEMISTRY2023

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

Marc Hamilton Folkmann Garner, Jacob Terence Blaskovits

ROYAL SOC CHEMISTRY2023

Donor-Acceptor-Donor "Hot Exciton" Triads for High Reverse Intersystem Crossing in OLEDs

Sergio Vela Llausi, Maria Fumanal Quintana, Yanan Zhu

Hot exciton materials have the potential to improve the quantum efficiency of organic light-emitting diodes (OLEDs) by promoting high reversed intersystem crossing (hRISC) between a high-lying triplet (T-n, n >= 2) and a radiative singlet (S-m). In recent ...

WILEY-V C H VERLAG GMBH2022

, , ,

Delayed fluorescence (DF) is a long-lived luminescence process used in a variety of applications ranging from oxygen sensing in biological tissues to organic Light Emitting Diodes. In common cases, DF results from the deexcitation of the first excited trip ...

2020

, , , , ,

OLED technology beyond small or expensive devices requires light-emitters, luminophores, based on earth-abundant elements. Understanding and experimental verification of charge transfer in luminophores are needed for this development. An organometallic mul ...

NATURE PUBLISHING GROUP2020

In this paper, we verify the large scale structure consistency relations using N-body simulations, including modes in the highly nonlinear regime. These relations (pointed out by Kehagias & Riotto and Peloso & Pietroni) follow from the symmetry of the dyna ...

AMER PHYSICAL SOC2019

Phosphorescent Neutral Iridium (III) Complexes for Organic Light-Emitting Diodes

Mohammad Khaja Nazeeruddin, Aron Joel Huckaba

The development of transition metal complexes for application in light-emitting devices is currently attracting significant research interest. Among phosphorescent emitters, those involving iridium (III) complexes have proven to be exceedingly useful due t ...

Springer Verlag2017

Molecular Engineering of Iridium Blue Emitters Using Aryl N-Heterocyclic Carbene Ligands

Mohammad Khaja Nazeeruddin, Iwan Zimmermann, Giulia Grancini, Aron Joel Huckaba, Sadig Aghazada

The synthesis of a new series of neutral bis[2-(2,4-difluorophen-2-yl)pyridine][1-(2-aryl)-3-methylimidazol-2-ylidene]iridium(III) complexes is reported. Each complex has been characterized by NMR spectroscopy, UV/Vis spectrophotometry, and cyclic voltamme ...

Wiley-Blackwell2016