Two-dimensional second-order nonlinear optical spectra: landscape of second-order nonlinear optics

文献情報

出版日 2017-10-12

DOI 10.1039/C7CP05910H

インパクトファクター 3.676

著者

Jiu Chen, Ming Qian Wang, Xin Zhou, Ling Yang, Wei-Qi Li, Wei Quan Tian

原文を見る

要旨

The landscape of second-order nonlinear optical (2nd NLO) responses of a system can be depicted as two-dimensional second-order nonlinear optical spectra in a range of external fields, and this is difficult to be realized in experiment for a wide range of external fields. In the present study, an efficient method for application of sum-over-states model to simulate electronic two-dimensional NLO (2DNLO) spectra has been developed, and techniques to analyze NLO response–structure correlation have been proposed. This 2DNLO method has been applied to simulate the 2DNLO spectra of a series of typical electron push–pull chromophores under external fields of up to 5.00 eV. The correlation between the NLO properties and structure has been disclosed, and a further strategy to enhance the NLO properties of push–pull chromophores has been proposed.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.