Visualization of Photoinduced Charge Transfer and Electron–Hole Coherence in Two-Photon Absorption

Mu, Xijiao; Wang, Jingang; Sun, Mengtao

doi:10.1021/acs.jpcc.9b00700

Cited by 86 publications

(82 citation statements)

References 28 publications

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“…λ intra has greater influence on electron transfer reaction when compared with λ inter ,. λ intra can be divided into electron/hole reorganization energy (λ e /λ h ) for different charge transport materials [62,63]. Table 4 lists the calculated λ h and λ e .…”

Section: Reorganization Energiesmentioning

confidence: 99%

Light Harvesting and Optical-Electronic Properties of Two Quercitin and Rutin Natural Dyes

Zhao

et al. 2019

Applied Sciences

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The photovoltaic properties of two dyes (quercitin (Q) and rutin (R)) were experimentally investigated. The results showed that Q had excellent photoelectric properties with J s c of 5.480 mA·cm−2, V o c of 0.582 V, η of 2.151% larger than R with J s c of 1.826 mA·cm−2, V o c of 0.547 V, and η of 0.713%. For a better understanding of the photoelectric properties of two molecules and illustrating why the performances of Q is better than R from the micro-level, the UV-VIs spectrum, Fourier transforms infrared (FT-IR) spectrum, and cyclic voltage current characteristics were experimentally investigated. What is more, density functional theory (DFT) and time dependent density functional theory (TD-DFT) have been implemented in theoretical calculation. Based on the calculated results, frontier molecular orbitals (FMOs), charge differential density (CDD), infrared vibration, first hyperpolarizability, projected density orbital analysis (PDOS), electrostatic potential (ESP), and natural bond orbital (NBO) were analyzed. Hole/electron reorganization energies ( λ h / λ e ), light harvesting efficiency (LHE), fluorescent lifetime (τ), absorption peak, and the vertical dipole moment ( μ n o r m a l ) were calculated, and the shift of conduction band edge of a semiconductor (ΔECB) has been analyzed, which has a close relationship with J s c and V o c . The results demonstrated that, due to the higher LHE, τ, μ n o r m a l , and red-shifted absorption peak, Q has better photoelectric properties than R as a promising sensitizer.

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Section: Reorganization Energiesmentioning

confidence: 99%

Light Harvesting and Optical-Electronic Properties of Two Quercitin and Rutin Natural Dyes

Zhao

et al. 2019

Applied Sciences

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“…There are many different techniques for spectroscopy (e.g. [41][42][43][44] ). Although SABARSI is motivated by SERS, it should be appropriate, with minor modifications if needed, for any experiment where multidimensional data (spectrum versus time) has a time variant background in the spectral dimension.…”

Section: Discussionmentioning

confidence: 99%

A Statistical Approach of Background Removal and Spectrum Identification for SERS Data

Wang

Xiao

Dai

et al. 2020

Sci Rep

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SERS (surface-enhanced Raman scattering) enhances the Raman signals, but the plasmonic effects are sensitive to the chemical environment and the coupling between nanoparticles, resulting in large and variable backgrounds, which make signal matching and analyte identification highly challenging. Removing background is essential, but existing methods either cannot fit the strong fluctuation of the SeRS spectrum or do not consider the spectra's shape change across time. Here we present a new statistical approach named SABARSI that overcomes these difficulties by combining information from multiple spectra. Further, after efficiently removing the background, we have developed the first automatic method, as a part of SABARSI, for detecting signals of molecules and matching signals corresponding to identical molecules. The superior efficiency and reproducibility of SABARSI are shown on two types of experimental datasets. Surface-enhanced Raman scattering (SERS) is increasingly used to identify and quantify biomolecules in complex samples 1 because the observed Raman spectrum provides a molecular fingerprint that can be used to identify specific molecules. Advances in SERS methodology incorporating internal standards enables quantitative analysis at low concentrations. Incorporating SERS with separation methods can provide high throughput molecularly specific detection 2-6. A significant challenge to using SERS for molecular analysis is separating the molecular signal from the large background arising from the enhancing nanostructure. The enhanced signal originates from the interaction of analytes with the enhanced electromagnetic field from the plasmonic nanostructures 7. These enhancements transform Raman scattering into an ultrasensitive technique that can detect single molecules 8,9. Despite this amazing sensitivity associated with SERS, a number of challenges exist that complicate analysis and interpretation of the signals observed. First, SERS signals contain both molecular contributions and a large continuum background that is associated with the plasmonic nanostructures 10-13. The origin of the continuum background observed in SERS spectra is not fully understood but is generally attributed to some form of plasmonic emission, which can vary with solvents, ionic strength, and changes in nanoparticle structure. At high laser intensities, molecules can photodegrade to produce broad features in the SERS spectrum, and the nanoparticles can change shape altering the emission background. Experiments that can minimize these photodegradation effects 14,15 are important and can also promote stable backgrounds. Additionally, in solution, the molecules can diffuse away from the nanostructures and can have competitive interactions with other solution species 16. These interactions can lead to short signal durations when the analyte can be detected 17. The substrate, solvent, and analytes of interest all make major contributions to a SERS spectrum 18. Typically, the contributions to the signal from the substrate and solvent a...

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“…At this time, the transition density represents charge transfer excitation. [25] 4. Application of OPA…”

Section: P E R S O N a L A C C O U N T T H E C H E M I C A L R E C O R Dmentioning

confidence: 99%

One‐ and Two‐Photon Absorption: Physical Principle and Applications

Kang

Zhu

Liu

et al. 2020

The Chemical Record

Self Cite

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We introduce the principle and applications of one‐photon absorption (OPA) and two‐photon absorption (TPA) controlled by external electric fields. The physical mechanism of OPA and TPA are firstly introduced, which can visually promote thoroughly understanding of principle and physical analysis. Secondly, the applications of different molecules in OPA and TPA with and without external electric field are introduced in detail. The effect of the external electric field on the charge transfer during the absorption process is also exemplified. Furthermore, the external electric field on the molecular orbital wave function is visualized through the charge transfer process in the excited state transitions. The purpose of this review is to deepen the understanding of the types of charge transfer under linear and non‐linear absorption in different systems.

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Visualization of Photoinduced Charge Transfer and Electron–Hole Coherence in Two-Photon Absorption

Cited by 86 publications

References 28 publications

Light Harvesting and Optical-Electronic Properties of Two Quercitin and Rutin Natural Dyes

Light Harvesting and Optical-Electronic Properties of Two Quercitin and Rutin Natural Dyes

A Statistical Approach of Background Removal and Spectrum Identification for SERS Data

One‐ and Two‐Photon Absorption: Physical Principle and Applications

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