Related Experiment Video
Updated: Sep 24, 2025
10:32
Fabrication of Uniform Nanoscale Cavities via Silicon Direct Wafer Bonding
Published on: January 9, 2014
7.5K
Engineering Cavity Singlet Fission in Rubrene.
Kewei Sun1,2, Maxim F Gelin1, Yang Zhao2
1School of Science, Hangzhou Dianzi University, Hangzhou 310018, China.
The Journal of Physical Chemistry Letters
|May 2, 2022
Summary
Cavity engineering enables photon-assisted singlet fission, enhancing efficiency through polaritonic conical intersections. This control over singlet fission is achieved by manipulating photon numbers, offering new possibilities for molecular systems.
Area of Science:
- Quantum chemistry
- Photochemistry
- Molecular physics
Background:
- Singlet fission (SF) is a crucial process for enhancing solar cell efficiency.
- Controlling SF with external fields, like optical cavities, is an active research area.
- Polaritonic conical intersections are key to understanding SF dynamics.
Purpose of the Study:
- Investigate cavity-manipulated singlet fission mediated by polaritonic conical intersections.
- Explore SF mechanisms in one- and two-molecule systems within an optical cavity.
- Determine the role of cavity engineering in achieving high SF efficiency.
Main Methods:
- Utilized the numerically exact multiple Davydov D2 ansatz for theoretical calculations.
- Analyzed population dynamics of triplet-triplet (TT) states and cavity photons.
- Examined systems with one and two molecules to understand collective effects.
Main Results:
- Uncovered mechanisms like photon-assisted SF and system localization via displaced photon states.
- Observed collective enhancement of SF efficiency in the two-molecule system.
- Identified a novel central polaritonic conical intersection in the two-molecule system, altering localization dynamics.
- Demonstrated the ability to switch SF on/off by controlling average pumping photon number.
Conclusions:
- Cavity engineering offers a powerful route to control and enhance singlet fission efficiency.
- The presence of multiple molecules introduces unique polaritonic conical intersection dynamics.
- Tunable control over SF is achievable through manipulation of cavity photon numbers.
Related Concept Videos
01:20Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)
1.2K
Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
1.2K
01:18Benzene to 1,4-Cyclohexadiene: Birch Reduction Mechanism
2.3K
Birch reduction uses solvated electrons as reducing agents. The reaction converts benzene to 1,4-cyclohexadiene. The reaction proceeds by the transfer of a single electron to the ring to form a benzene radical anion. This anion is highly basic—it abstracts a proton from the alcohol to form a cyclohexadienyl radical. Another single electron transfer gives the cyclohexadienyl anion. A proton transfer from the alcohol forms 1,4-cyclohexadiene. Since this reduction occurs via radical anion...
2.3K
03:24Hybridization of Atomic Orbitals I
49.5K
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
49.5K
01:13¹H NMR: Complex Splitting
1.4K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
1.4K
01:17Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals
2.7K
Ideally, an unpaired electron shows a single peak in the EPR spectrum due to the transition between the two spin energy states. However, coupling interactions can occur between the spins of the unpaired electron and any neighboring spin-active nuclei. This hyperfine coupling results in hyperfine splitting, where the EPR signal is split into multiplets. The signals split into 2nI + 1 peaks, where n is the number of equivalent nuclei and I is the nuclear spin. These splitting patterns provide...
2.7K
01:17Thermal Electrocyclic Reactions: Stereochemistry
2.1K
The stereochemistry of electrocyclic reactions is strongly influenced by the orbital symmetry of the polyene HOMO. Under thermal conditions, the reaction proceeds via the ground-state HOMO.
Selection Rules: Thermal Activation
Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.
Selection Rules: Thermal Activation
Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.
2.1K