Unraveling the structure–property relationship of novel thiophene and furan‐fused cyclopentadienyl chromophores for nonlinear optical applications

H Sun - Journal of Computational Chemistry, 2024 - Wiley Online Library
Abstract Development of organic nonlinear optical materials has become progressively
more important due to their emerging applications in new‐generation photonic devices. A …

Strong second order nonlinear optical properties of azulene-based porphyrin derivatives

CC Yang, L Li, WQ Tian, WQ Li, L Yang - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
The high stability, feasible modification, and good π-conjugation of porphyrin derivatives
render these porphyrin-based nanomaterials suitable as potential third order nonlinear …

Density Functional Theory Studies of B/N-Doped Phenalenyl Nanorings with C60 for Tuning Second-Order Nonlinear Optical Properties

X Huang, P Gan, W Liu, F Gao, H Xu… - ACS Applied Nano …, 2023 - ACS Publications
A series of triangular nanorings, denoted B n N3–n-CPLY3 (n= 0, 1, 2, and 3), are designed
by incorporating boron-/nitrogen-doped phenalenyl (B/N-PLY) units into …

Verbenone‐based push–pull chromophores with giant first hyperpolarizabilities: A new structure–property correlation study

H Sun - International Journal of Quantum Chemistry, 2024 - Wiley Online Library
Novel chromophores Ch1–8 based verbenone bridge with various strong donors and
acceptors were designed for applications in nonlinear optics, and the nonlinear optical …

Spiral graphene nanoribbons with azulene defects as potential nonlinear optical materials

YY He, J Chen, XL Zheng, X Xu, WQ Li… - ACS Applied Nano …, 2019 - ACS Publications
Inducing new nonlinear optical (NLO) properties while keeping the thermal stability of
carbon-based nanomaterials paves a new path for the application of carbon nanomaterials …

Spin engineering of triangulenes and application for nano nonlinear optical materials design

CC Yang, XL Zheng, J Chen, WQ Tian… - Physical Chemistry …, 2022 - pubs.rsc.org
The recently synthesized triangulenes with non-bonding edge states could have broad
potential applications in magnetics, spintronics and electro-optics if they have appropriate …

High performance nonlinear optical materials with simple aromatic hydrocarbons

CC Yang, JY Ma, X Su, XL Zheng, J Chen, YY He… - FlatChem, 2022 - Elsevier
Abstract Design of novel functional materials with high-performance and high stability are of
great importance in the field of nonlinear optics. In the present work, a new protocol is …

Tuning azulene defects and doping of N atoms in graphene nanosheets: Improving nonlinear optical properties of carbon-based nano materials

XL Zheng, CC Yang, WQ Tian, L Yang, WQ Li - Physica E: Low-dimensional …, 2022 - Elsevier
Recent successful syntheses of azulene-defect graphene nanosheets (GNSs) pave a path
for the applications of those GNSs in nonlinear optics, since azulene-defect GNSs maintains …

Two-dimensional two-photon absorptions and third-order nonlinear optical properties of I h fullerenes and fullerene onions

XL Zheng, L Yang, B Shang, MQ Wang, Y Niu… - Physical Chemistry …, 2020 - pubs.rsc.org
The third order static and dynamic nonlinear optical (NLO) responses of Ih symmetry
fullerenes (C60, C240, and C540) and fullerene onions (C60@ C240 and C60@ C240 …

A theoretical investigation of second-order nonlinear optical properties in push–pull π-conjugated compounds, including phenoxazine-based systems

K Ziadi, A Messaoudi - Computational and Theoretical Chemistry, 2025 - Elsevier
This computational study analyzes how second-order nonlinear optical (NLO) properties can
be enhanced in push–pull π-conjugated compounds of the type A-π-D, where the donor is …