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An Insight into the Excitation States of Small Molecular Semiconductor Y6

Molecules, 2020
Y6 is a new type of non-fullerene acceptor, which has led to power conversion efficiencies of single-junction polymer solar cells over 17% when combined with a careful choice of polymeric donors. However, the excited state characteristics of Y6, which is
Xianshao Zou +7 more
doaj +1 more source

Hyperridge of triply excited states [PDF]

Physical Review A, 1988
We present a theory for the definition and the reliable calculation of correlated wave functions of a special class of triply excited states and for their rigorous geometrical analysis. This class is named the three-electron ionization ladder (THEIL) and refers to the simultaneous excitation of three electrons in valence states near threshold ...
Komninos, Yannis, Chrysos, M., Nicolaides, Cleanthes A. +2 more
openaire +4 more sources

Two-State Lasing in Microdisk Laser Diodes with Quantum Dot Active Region

Photonics, 2023
The two-state lasing phenomenon, which manifests itself in simultaneous laser emission through several optical transitions of quantum dots, is studied in microdisk diode lasers with different cavity diameters.
Ivan Makhov +8 more
doaj +1 more source

A Promising Intersection of Excited-State-Specific Methods from Quantum Chemistry and Quantum Monte Carlo [PDF]

arXiv, 2021
We present a discussion of recent progress in excited-state-specific quantum chemistry and quantum Monte Carlo alongside a demonstration of how a combination of methods from these two fields can offer reliably accurate excited state predictions across singly excited, doubly excited, and charge transfer states.
arxiv

In situ n-doped nanocrystalline electron-injection-layer for general-lighting quantum-dot LEDs

Nature Communications
Quantum-dot optoelectronics, pivotal for lighting, lasing and photovoltaics, rely on nanocrystalline oxide electron-injection layer. Here, we discover that the prevalent surface magnesium-modified zinc oxide electron-injection layer possesses poor n-type
Yizhen Zheng +11 more
doaj +1 more source

A DFT study on the molecular properties of synthetic ester under the electric field

Open Physics, 2021
Synthetic ester can replace the mineral oil traditionally used in transformers to avoid the environmental problems caused by oil leakage. However, the fast discharge phenomenon in a high electric field in transformers using synthetic ester seems to ...
Wang Yachao, Lin Xiaoran, Wang Mei, Wang Jifang +3 more
doaj +1 more source

Functional variation among LPMOs revealed by the inhibitory effects of cyanide and buffer ions

FEBS Letters, EarlyView.
This study addresses the inhibition of lytic polysaccharide monooxygenases (LPMOs) by cyanide and explains how and why the magnitude of observed inhibitory effects depends on the way LPMO reactions are setup and on the type of LPMO. Enzymes known as lytic polysaccharide monooxygenases (LPMOs) are mono‐copper polysaccharide‐degrading peroxygenases that ...
Ole Golten +10 more
wiley +1 more source

Coupled Excited-State Dynamics in N-Substituted 2-Methoxy-9-Acridones

Frontiers in Chemistry, 2019
Fluorophores of the acridone family have been widely employed in many applications, such as DNA sequencing, the detection of biomolecules, and the monitoring of enzymatic systems, as well as being the bases of intracellular sensors and even antitumoral ...
M. Carmen Gonzalez-Garcia +9 more
doaj +1 more source

Excited States via Coupled Cluster Theory without Equation-of-Motion Methods: Seeking Higher Roots with Application to Doubly Excited States and Double Core Hole States [PDF]

J. Chem. Phys. 151, 214103 (2019), 2019
In this work, we revisited the idea of using the coupled-cluster ground state formalism to target excited states. Our main focus was targeting doubly excited states and double core hole states. Typical equation-of-motion (EOM) approaches for obtaining these states struggle without higher-order excitations than doubles.
arxiv +1 more source

Search for excited B c + states [PDF]

Journal of High Energy Physics, 2018
A search is performed in the invariant mass spectrum of the B$_{c}^{+}$ π$^{+}$π$^{−}$ system for the excited B$_{c}^{+}$ states B$_{c}$ (2$^{1}$S$_{0}$)$^{+}$ and B$_{c}$ (2$^{3}$S$_{1}$)$^{+}$ using a data sample of pp collisions collected by the LHCb experiment at the centre-of-mass energy of $ \sqrt{s}=8 $ TeV, corresponding to an integrated ...
T. Tekampe +375 more
openaire +25 more sources

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