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   Articles with "spin flip" as a keyword



Spin-Flip Raman Scattering on Electrons and Holes in Two-Dimensional (PEA)2 PbI4 Perovskites.

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recommendations! Published in 2023 at "Small"

DOI: 10.1002/smll.202300988

Abstract: The class of Ruddlesden-Popper type (PEA)2 PbI4 perovskites comprises 2D structures whose optical properties are determined by excitons with a large binding energy of about 260 meV. It complements the family of other 2D semiconductor materials… read more here.

Keywords: pbi4 perovskites; spin flip; flip raman; flip ... See more keywords

Managing local triplet excited states of boron-based TADF emitters for fast spin-flip process: Toward highly efficient TADF-OLEDs with low efficiency roll-off

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recommendations! Published in 2021 at "Chemical Engineering Journal"

DOI: 10.1016/j.cej.2021.130224

Abstract: Abstract Improving the rate of a spin-flip process from a triplet to a singlet excited state, which is known as reverse intersystem crossing (RISC), is a challenging issue in realizing efficient and stable organic light-emitting… read more here.

Keywords: flip process; local triplet; triplet; tadf oleds ... See more keywords

Improvement of singlet exciton induced by spin flip in conjugated polymers

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recommendations! Published in 2018 at "Organic Electronics"

DOI: 10.1016/j.orgel.2018.04.041

Abstract: Abstract Improving the ratio of singlet exciton is an effective method to maximize the efficiency of organic light emitting diodes (OLEDs). The effects of spin conversion on exciton productivities remain hot and debating topics. In… read more here.

Keywords: spin flip; exciton; improvement singlet; singlet exciton ... See more keywords

First-order phase transition by a spin-flip potential in BCS superconductivity

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recommendations! Published in 2019 at "Physica C: Superconductivity and its Applications"

DOI: 10.1016/j.physc.2019.05.007

Abstract: A spin-flip potential $V$ is introduced in a BCS Hamiltonian in order to study a possible thermodynamic effect that might be caused by the addition of a magnetic impurity in a superconductor. We found that… read more here.

Keywords: phase; first order; spin flip; flip potential ... See more keywords

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory for Accurate X-ray Absorption Spectroscopy.

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recommendations! Published in 2022 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.2c00746

Abstract: It is demonstrated that the challenging core-hole particle (CHP) orbital relaxation for core electron spectra can be readily achieved by the mixed-reference spin-flip (MRSF)-time-dependent density functional theory (TDDFT). With the additional scalar relativistic effects on… read more here.

Keywords: theory; mixed reference; time dependent; spin flip ... See more keywords

Zero Excitation Energy Theorem and the Spin-Flip Kernel.

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recommendations! Published in 2025 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.5c00714

Abstract: This work establishes the zero excitation energy theorem, which ensures that the TDDFT equations constructed from an open-shell reference state must admit excited-state solutions with zero excitation energy. This theorem holds exactly in TDDFT but… read more here.

Keywords: excitation energy; spin; spin flip; zero excitation ... See more keywords

Comparison of Spin-Flip TDDFT-Based Conical Intersection Approaches with XMS-CASPT2

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recommendations! Published in 2020 at "Journal of Chemical Theory and Computation"

DOI: 10.1021/acs.jctc.9b00917

Abstract: Determining conical intersection geometries is of key importance to understanding the photochemical reactivity of molecules. While many small- to medium-sized molecules can be treated accurately using multireference approaches, larger molecules require a less computationally demanding… read more here.

Keywords: spin flip; flip tddft; conical intersection; xms caspt2 ... See more keywords

Strain-Dependent Band Splitting and Spin-Flip Dynamics in Monolayer WS2.

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recommendations! Published in 2023 at "Nano letters"

DOI: 10.1021/acs.nanolett.3c00771

Abstract: Triggered by the expanding demands of semiconductor devices, strain engineering of two-dimensional transition metal dichalcogenides (TMDs) has garnered considerable research interest. Through steady-state measurements, strain has been proved in terms of its modulation of electronic… read more here.

Keywords: spin flip; dynamics monolayer; strain; spin ... See more keywords

Intravalley Spin-Flip Relaxation Dynamics in Single-Layer WS2.

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recommendations! Published in 2018 at "Nano letters"

DOI: 10.1021/acs.nanolett.8b02774

Abstract: In monolayer (1L) transition metal dichalcogenides (TMDs) the valence and conduction bands are spin-split because of the strong spin-orbit interaction. In tungsten-based TMDs the spin-ordering of the conduction band is such that the so-called dark… read more here.

Keywords: spin flip; intravalley spin; spin; flip relaxation ... See more keywords

Shedding Light on the Oxidizing Properties of Spin-Flip Excited States in a CrIII Polypyridine Complex and Their Use in Photoredox Catalysis

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recommendations! Published in 2022 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.2c04465

Abstract: The photoredox activity of well-known RuII complexes stems from metal-to-ligand charge transfer (MLCT) excited states, in which a ligand-based electron can initiate chemical reductions and a metal-centered hole can trigger oxidations. CrIII polypyridines show similar… read more here.

Keywords: flip excited; polypyridine; spin flip; excited states ... See more keywords

Reconfigured Spin-Flip Process Enables Efficient and Persistent Triplet Excitons in Organic-Inorganic Metal Halides.

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recommendations! Published in 2025 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.4c17996

Abstract: Triplet excitons, driven by spin-flip processes, play a crucial role in enabling efficient room-temperature phosphorescence across various applications. However, attaining a significant accumulation of long-lived excitons is impeded by the simultaneous influence of nonradiative and… read more here.

Keywords: spin flip; organic inorganic; triplet excitons; flip process ... See more keywords