Visible Light Induced Exciton Dynamics and trans-to-cis Isomerization in Azobenzene Aggregates: Insights from Surface Hopping/Semiempirical Configuration …

E Titov - ACS omega, 2024 - ACS Publications
Assemblies of photochromic molecules feature exciton states, which govern photochemical
and photophysical processes in multichromophoric systems. Understanding the …

Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls

E Sangiogo Gil, M Persico, G Granucci - The Journal of Chemical …, 2022 - pubs.aip.org
We performed computational simulations of the photodynamics of a self-assembled
monolayer (SAM) of an azobenzene derivative (azobiphenyl, ABPT) on a gold surface. An …

Photoisomerization of an Azobenzene‐Containing Surfactant Within a Micelle

E Titov, A Sharma, N Lomadze, P Saalfrank… - …, 2021 - Wiley Online Library
Photosensitive azobenzene‐containing surfactants have attracted great attention in past
years because they offer a means to control soft‐matter transformations with light. At …

Exciton localization and transfer in azobenzene aggregates: A surface hopping molecular dynamics study

E Titov - The Journal of Physical Chemistry C, 2023 - ACS Publications
Molecular photoswitches are a promising class of molecules for the development of new
functional, light-controlled materials. In complex systems composed of multiple …

Multiconfigurational Excitonic Couplings in Homo-and Heterodimer Stacks of Azobenzene-Derived Dyes

RE Daoud, R Cacciari, L De Vico - The Journal of Physical …, 2024 - ACS Publications
Molecular excitons play a major role within dye aggregates and hold significant potential for
(opto) electronic and photovoltaic applications. Numerous studies have documented …

The Role of Double Excitations in Exciton Dynamics of Multiazobenzenes: Trisazobenzenophane as a Test Case

E Titov - The Journal of Physical Chemistry Letters, 2024 - ACS Publications
Molecular exciton dynamics underlie energy and charge transfer processes in organic
multichromophoric systems. A particularly interesting class of the latter is multiphotochromic …

Two-Dimensional Nanoarchitectonics with Fluorination and Alkylation on Photoresponsive Azobenzene Molecules Self-Assembled at the Solid Surface

B Das, S Patel, S Paul, G Chandra… - The Journal of …, 2024 - ACS Publications
The development of stimuli-responsive molecular electronic devices relies on a
comprehensive understanding of the nature and strength of interactions that govern their self …

Influence of linking units on the photo responsive studies of azobenzene liquid Crystals: Application in optical storage devices

S Shruthi, M Smahel, M Kohout, G Shanker… - Journal of Molecular …, 2021 - Elsevier
In this paper, we report on the photoisomerization process of three series of photosensitive
bent-core liquid crystals with a lateral chlorine atom in the central resorcinol core and …

Effect of conformational disorder on exciton states of an azobenzene aggregate

E Titov - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
Azobenzene is a prototypical molecular photoswitch, widely used to trigger a variety of
transformations at different length scales. In systems like self-assembled monolayers or …

Exciton States of Azobenzene Aggregates: A First‐Principles Study

E Titov, A Beqiraj - Advanced Theory and Simulations, 2023 - Wiley Online Library
Interaction between azobenzene‐containing molecules in supramolecular structures or self‐
assembled monolayers (SAMs) results in the formation of molecular exciton states. These …