☆ 4.6 Article

Light-responsive organic polaritons from first principles

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Nanoscience & Nanotechnology

Tunable Nonlinearity and Efficient Harmonic Generation from a Strongly Coupled Light-Matter System

Davis M. Welakuh et al.

Summary: Strong light-matter coupling has the potential to modify and control chemical and physical processes. This work investigates the origins of the enhancement of resonant second-harmonic and third-harmonic generation under strong light-matter coupling using a first-principles approach. The study reveals that the enhancement of nonlinear conversion efficiency arises from a modification of the associated nonlinear optical susceptibilities and can be tuned by increasing the light-matter coupling strength. Additionally, an alternative framework for computing the harmonic generation spectra is proposed.

ACS PHOTONICS (2023)

添加到收藏夹

Article Chemistry, Physical

Porphyrins containing a tetraphenylethylene-substituted phenothiazine donor for fabricating efficient dye sensitized solar cells with high photovoltages

Jiazhi Zou et al.

Summary: By introducing a dialkoxy-TPE moiety into the donor unit of a porphyrin dye, the photovoltages and efficiencies of dye sensitized solar cells were significantly enhanced. The optimization of substituents surrounding the porphyrin macrocycle played a crucial role in improving V-OC and efficiencies.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Autotuning of Vibrational Strong Coupling for Site-Selective Reactions

Kenji Hirai et al.

Summary: Site-selective chemistry provides new approaches for synthesizing important molecules, and vibrational strong coupling (VSC) can modify the chemical reactivity at specific sites. In this study, actuatable FP cavities were developed to automatically adjust cavity mode energy and maintain maximized VSC during a reaction, resulting in improved site-selective reactivity.

CHEMISTRY-A EUROPEAN JOURNAL (2022)

添加到收藏夹

Article Chemistry, Physical

Frequency-Dependent Sternheimer Linear-Response Formalism for Strongly Coupled Light-Matter Systems

Davis M. Welakuh et al.

Summary: Recent progress in quantum-optical experiments enables the modification and control of chemical and physical properties of atoms, molecules, and solids by strongly coupling to the quantized field. This study extends the Sternheimer approach to efficiently compute excited-state properties of strongly coupled light-matter systems within the framework of quantum electrodynamical density-functional theory. The method captures the features of strong light-matter coupling and provides an alternative approach for computing excited-state properties of large molecular systems interacting with the quantized electromagnetic field.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2022)

添加到收藏夹

Article Chemistry, Physical

Linear and Nonlinear Optical Properties of Azobenzene Derivatives Modified with an (Amino)naphthalene Moiety

Marta Dudek et al.

Summary: This study investigates the linear and nonlinear optical properties of two-photon absorbing azobenzene compounds through experimental and theoretical approaches. The effects of pi-conjugation and substituents on these properties are also explored.

JOURNAL OF PHYSICAL CHEMISTRY B (2022)

添加到收藏夹

Article Chemistry, Physical

Light-matter interaction of a molecule in a dissipative cavity from first principles

Derek S. Wang et al.

Summary: Researchers have successfully described the coupled cavity-single molecule interactions in the weak-to-strong-coupling regimes by generalizing quantum-electrodynamical density functional theory to account for dissipative dynamics of the cavity. By tuning the coupling, cavity-mediated energy transfer between electronically excited states has been achieved. This generalized ab initio quantum-electrodynamical density functional theory treatment can be extended to describe cavity-mediated interactions in arbitrary electromagnetic environments, bridging the gap between electronic structure theory, quantum optics, and nanophotonics.

JOURNAL OF CHEMICAL PHYSICS (2021)

添加到收藏夹

Article Nanoscience & Nanotechnology

Locating Single-Atom Optical Picocavities Using Wavelength-Multiplexed Raman Scattering

Jack Griffiths et al.

Summary: The study reveals that light suppresses the local effective barrier height for adatom formation, and that the initial barrier height is decreased by reduced atomic coordination numbers near facet edges. Modeling the system also resolves the frequency-dependent picocavity field enhancements supported by these atomic scale features.

ACS PHOTONICS (2021)

添加到收藏夹

Article Chemistry, Multidisciplinary

Defect Polaritons from First Principles

Derek S. Wang et al.

Summary: This study demonstrates how to tune the optical properties of defects in solid-state materials via the formation of defect polaritons in an optical cavity from first principles. It shows significant polaritonic splitting and absorption intensity enhancement, potentially overcoming phonon-limited single-photon emission from defect centers. These findings are expected to inspire experimental investigations of strong light-matter coupling between defect centers and cavity photons for applications in quantum technologies.

ACS NANO (2021)

添加到收藏夹

Article Chemistry, Physical

Experimental and DFT study of UV-vis absorption spectra of azobenzene containing ester groups

Jianqiang Zhao et al.

Summary: This study combined experimental measurements and DFT calculations to investigate UV-vis absorption spectra. The results showed that the rotation mechanism is favored in the first excited state for DHA and DEA, with a good agreement with experimental data.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2021)

添加到收藏夹

Review Materials Science, Multidisciplinary

Solar energy conversion and storage by photoswitchable organic materials in solution, liquid, solid, and changing phases

Qianfeng Qiu et al.

Summary: This review outlines various structural design principles for molecular solar thermal energy storage materials based on photoswitches, discussing their performance metrics, optical and thermal properties, and potential applications in renewable energy markets.

JOURNAL OF MATERIALS CHEMISTRY C (2021)

添加到收藏夹

Article Chemistry, Applied

A facile synthetic route and dual function of network luminescent porous polyester and copolyester containing porphyrin moiety for metal ions sensor and dyes adsorption

Kamal Aly et al.

MICROPOROUS AND MESOPOROUS MATERIALS (2020)

添加到收藏夹

Review Chemistry, Multidisciplinary

Recent Progress in Vibropolaritonic Chemistry

Kenji Hirai et al.

CHEMPLUSCHEM (2020)

添加到收藏夹

Article Chemistry, Physical

Ab initio polaritonic potential-energy surfaces for excited-state nanophotonics and polaritonic chemistry

Johannes Flick et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

添加到收藏夹

Article Spectroscopy

Influence of the meso-substituents on the spectral features of free-base porphyrin

J. M. S. Lopes et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2020)

添加到收藏夹

Article Chemistry, Physical

Can one use the electronic absorption spectra of metalloporphyrins to benchmark electronic structure methods? A case study on the cobalt porphyrin

Jhonathan Rosa de Souza et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

添加到收藏夹

Article Multidisciplinary Sciences

Tilting a ground-state reactivity landscape by vibrational strong coupling

A. Thomas et al.

SCIENCE (2019)

添加到收藏夹

Article Physics, Multidisciplinary

Cavity Quantum Eliashberg Enhancement of Superconductivity

Jonathan B. Curtis et al.

PHYSICAL REVIEW LETTERS (2019)

添加到收藏夹

Article Physics, Multidisciplinary

Cavity-Mediated Electron-Photon Superconductivity

Frank Schlawin et al.

PHYSICAL REVIEW LETTERS (2019)

添加到收藏夹

Review Materials Science, Multidisciplinary

Functionalization of 2D Materials with Photosensitive Molecules: From Light-Responsive Hybrid Systems to Multifunctional Devices

Yuda Zhao et al.

ADVANCED OPTICAL MATERIALS (2019)

添加到收藏夹

Article Nanoscience & Nanotechnology

Reduced Density-Matrix Approach to Strong Matter-Photon Interaction

Florian Buchholz et al.

ACS PHOTONICS (2019)

添加到收藏夹

Article Nanoscience & Nanotechnology

Light-Matter Response in Nonrelativistic Quantum Electrodynamics

Johannes Flick et al.

ACS PHOTONICS (2019)

添加到收藏夹

Article Nanoscience & Nanotechnology

Theory of Nanoscale Organic Cavities: The Essential Role of Vibration-Photon Dressed States

Felipe Herrera et al.

ACS PHOTONICS (2018)

添加到收藏夹

Article Nanoscience & Nanotechnology

Polaritonic Chemistry with Organic Molecules

Johannes Feist et al.

ACS PHOTONICS (2018)

添加到收藏夹

Article Optics

Cavity-QED interactions of two correlated atoms

Saeideh Esfandiarpour et al.

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Theory for polariton-assisted remote energy transfer

Matthew Du et al.

CHEMICAL SCIENCE (2018)

添加到收藏夹

Review Chemistry, Multidisciplinary

From a quantum-electrodynamical light-matter description to novel spectroscopies

Michael Ruggenthaler et al.

NATURE REVIEWS CHEMISTRY (2018)

添加到收藏夹

Article Physics, Multidisciplinary

Cavity-Correlated Electron-Nuclear Dynamics from First Principles

Johannes Flick et al.

PHYSICAL REVIEW LETTERS (2018)

添加到收藏夹

Review Chemistry, Physical

Recent progress in porphyrin-based materials for organic solar cells

Asif Mahmood et al.

JOURNAL OF MATERIALS CHEMISTRY A (2018)

添加到收藏夹

Article Multidisciplinary Sciences

Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity

M. A. Sentef et al.

SCIENCE ADVANCES (2018)

添加到收藏夹

Article Biochemistry & Molecular Biology

The absorption spectrum of cis-azobenzene

Lubica Vetrakova et al.

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES (2017)

添加到收藏夹

Article Biochemistry & Molecular Biology

Dehydrogenative lactonization of diols with a platinum-loaded titanium oxide photocatalyst

Emiko Wada et al.

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES (2017)

添加到收藏夹

Article Physics, Multidisciplinary

Dark Vibronic Polaritons and the Spectroscopy of Organic Microcavities

Felipe Herrera et al.

PHYSICAL REVIEW LETTERS (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Energy Transfer between Spatially Separated Entangled Molecules

Xiaolan Zhong et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

添加到收藏夹

Article Nanoscience & Nanotechnology

Molecularly Engineered Azobenzene Derivatives for High Energy Density Solid-State Solar Thermal Fuels

Eugene N. Cho et al.

ACS APPLIED MATERIALS & INTERFACES (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Photon Upconversion and Molecular Solar Energy Storage by Maximizing the Potential of Molecular Self-Assembly

Nobuo Kimizuka et al.

LANGMUIR (2016)

添加到收藏夹

Article Chemistry, Physical

Ultra-strong coupling of molecular materials: spectroscopy and dynamics

Jino George et al.

FARADAY DISCUSSIONS (2015)

添加到收藏夹

Article Multidisciplinary Sciences

Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space

Johannes Flick et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)

添加到收藏夹

Article Chemistry, Physical

Ultra-strong coupling of molecular materials: spectroscopy and dynamics

Jino George et al.

FARADAY DISCUSSIONS (2015)

添加到收藏夹

Review Chemistry, Multidisciplinary

Meso-Substituted Porphyrins for Dye-Sensitized Solar Cells

Maxence Urbani et al.

CHEMICAL REVIEWS (2014)

添加到收藏夹

Article Chemistry, Multidisciplinary

Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers

Simon Mathew et al.

NATURE CHEMISTRY (2014)

添加到收藏夹

Article Chemistry, Multidisciplinary

Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels

Timothy J. Kucharski et al.

NATURE CHEMISTRY (2014)

添加到收藏夹

Article Optics

Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory

Michael Ruggenthaler et al.

PHYSICAL REVIEW A (2014)

添加到收藏夹

Article Physics, Multidisciplinary

Time-Dependent Density Functional Theory for Many-Electron Systems Interacting with Cavity Photons

I. V. Tokatly

PHYSICAL REVIEW LETTERS (2013)

添加到收藏夹

Article Chemistry, Physical

Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation

Maurizia Palummo et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

添加到收藏夹

Review Physics, Multidisciplinary

Vacuum Rabi splitting in semiconductors

G Khitrova et al.

NATURE PHYSICS (2006)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.