D–A3 TADF emitters: the role of the density of states for achieving faster triplet harvesting rates

2019 ◽  
Vol 7 (41) ◽  
pp. 12942-12952 ◽  
Author(s):  
Julien Eng ◽  
Jerry Hagon ◽  
Thomas James Penfold
Keyword(s):  
Electronic Structure ◽  
Excited State ◽  
Symmetry Breaking ◽  
Density Of States ◽  
Organic Molecule ◽  
Symmetry Breaking Dynamics ◽  
Triplet Harvesting

A D–A3 structure is used to enhance the triplet harvesting rate of a purely organic molecule. However, excited state symmetry breaking dynamics plays an detrimental role causing localisation of the electronic structure and reducing this rate.

Organic Molecule Adsorption on Stepped Si–Au Surfaces: Role of Functional Group on Geometry and Electronic Structure

2019 ◽  
Vol 256 (7) ◽  
pp. 1800653
Author(s):  
Conor Hogan ◽  
Svetlana Suchkova ◽  
Friedhelm Bechstedt ◽  
Eugen Speiser ◽  
Sandhya Chandola ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Organic Molecule ◽  
Functional Group ◽  
Molecule Adsorption

The Role of Twisting in Driving Excited-State Symmetry Breaking and Enhanced Two-Photon Absorption in Quadrupolar Cationic Pyridinium Derivatives

2021 ◽  
Author(s):  
Alessio Cesaretti ◽  
Anna Spalletti ◽  
Fausto Elisei ◽  
Paolo FOGGI ◽  
Raimondo Germani ◽  
...  
Keyword(s):  
Excited State ◽  
Symmetry Breaking ◽  
Electron Acceptor ◽  
Electron Donors ◽  
Photon Absorption ◽  
Two Photon Absorption ◽  
Two Photon

Two symmetric quadrupolar cationic push-pull compounds with a central electron-acceptor (N+-methylpyrydinium, A+) and different lateral electron-donors, (N,N-dimethylamino and N,N-diphenylamino, D) in a D-π-A+-π-D arrangement, were investigated together with their dipolar...

Unravelling the early photochemical behavior of (8-substituted-7-hydroxyquinolinyl)methyl acetates through electronic structure theory and ultrafast transient absorption spectroscopy

2017 ◽  
Vol 19 (2) ◽  
pp. 1089-1096 ◽  
Author(s):  
Jiani Ma ◽  
Jan-Michael Mewes ◽  
Kyle T. Harris ◽  
Timothy M. Dore ◽  
David Lee Phillips ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Excited State ◽  
Excited States ◽  
Transient Absorption ◽  
Electronic Structure Theory ◽  
Transient Absorption Spectroscopy ◽  
Structure Theory ◽  
Proton Transfers ◽  
Role Of Solvent

Role of solvent, prototropic states, excited state proton transfers, and excited states on biological effector release from quinoline-based phototriggers.

Dynamic adjustment of emission from both singlets and triplets: the role of excited state conformation relaxation and charge transfer in phenothiazine derivates

2021 ◽  
Author(s):  
Weidong Qiu ◽  
Xinyi Cai ◽  
Mengke Li ◽  
Liangying Wang ◽  
Yanmei He ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Dynamic Adjustment ◽  
Twisted Intramolecular Charge Transfer

Dynamic adjustment of emission behaviours by controlling the extent of twisted intramolecular charge transfer character in excited state.

Centrosome Aurora A gradient ensures single polarity axis in C. elegans embryos

2020 ◽  
Vol 48 (3) ◽  
pp. 1243-1253 ◽  
Author(s):  
Sukriti Kapoor ◽  
Sachin Kotak
Keyword(s):  
Symmetry Breaking ◽  
Cell Fate ◽  
Cell Cortex ◽  
Axis Formation ◽  
Aurora A Kinase ◽  
Aurora A ◽  
C Elegans ◽  
Cell Embryo ◽  
Polarity Establishment

Cellular asymmetries are vital for generating cell fate diversity during development and in stem cells. In the newly fertilized Caenorhabditis elegans embryo, centrosomes are responsible for polarity establishment, i.e. anterior–posterior body axis formation. The signal for polarity originates from the centrosomes and is transmitted to the cell cortex, where it disassembles the actomyosin network. This event leads to symmetry breaking and the establishment of distinct domains of evolutionarily conserved PAR proteins. However, the identity of an essential component that localizes to the centrosomes and promotes symmetry breaking was unknown. Recent work has uncovered that the loss of Aurora A kinase (AIR-1 in C. elegans and hereafter referred to as Aurora A) in the one-cell embryo disrupts stereotypical actomyosin-based cortical flows that occur at the time of polarity establishment. This misregulation of actomyosin flow dynamics results in the occurrence of two polarity axes. Notably, the role of Aurora A in ensuring a single polarity axis is independent of its well-established function in centrosome maturation. The mechanism by which Aurora A directs symmetry breaking is likely through direct regulation of Rho-dependent contractility. In this mini-review, we will discuss the unconventional role of Aurora A kinase in polarity establishment in C. elegans embryos and propose a refined model of centrosome-dependent symmetry breaking.

scholarly journals Band alignment of monolayer CaP3, CaAs3, BaAs3 and the role of p–d orbital interactions in the formation of conduction band minima

2021 ◽  
Vol 23 (12) ◽  
pp. 7418-7425
Author(s):  
Magdalena Laurien ◽  
Himanshu Saini ◽  
Oleg Rubel
Keyword(s):  
Electronic Structure ◽  
Conduction Band ◽  
Electron Affinity ◽  
Band Alignment ◽  
Orbital Interactions

We calculate the band alignment of the newly predicted phosphorene-like puckered monolayers with G0W0 according to the electron affinity rule and examine trends in the electronic structure. Our results give guidance for heterojunction design.

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