Fine-Tuning of Nonlinear Optical Contrasts of Hexaphyrin-Based Molecular Switches Using Inverse Design

Fine-Tuning of Nonlinear Optical Contrasts of Hexaphyrin-Based Molecular Switches Using Inverse Design

In the search for new nonlinear optical (NLO) switching devices, expanded porphyrins have emerged as ideal candidates thanks to their tunable chemical and photophysical properties. Introducing meso-substituents to these macrocycles is a successful strategy to enhance the NLO contrasts. Despite its p...

Full description

Bibliographic Details
Main Authors: Eline Desmedt, Tatiana Woller, Jos L. Teunissen, Freija De Vleeschouwer, Mercedes Alonso
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-12-01
Series:Frontiers in Chemistry
Subjects:
(time-dependent) density functional theory
nonlinear optical properties
molecular switches
expanded porphyrins
inverse design
best-first search algorithm
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2021.786036/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2021.786036/full

Similar Items