[HTML][HTML] Regioisomeric effect of heteroatoms and functional groups of organic ligands: Impacts on coordination bonding and corrosion protection performance

C Verma, A Singh, P Singh, KY Rhee… - Coordination Chemistry …, 2024 - Elsevier
The regioisomeric effect, which refers to the different positions of heteroatoms and functional
groups on a molecule, significantly impacts the stability, physicochemical properties …

End-capped engineering of bipolar diketopyrrolopyrrole based small electron acceptor molecules for high performance organic solar cells

M Akram, SA Siddique, J Iqbal, R Hussain… - Computational and …, 2021 - Elsevier
Non-fullerene small acceptor molecules demonstrate promising photovoltaic properties
supported the progress of organic solar cells (OSCs). In organic photovoltaics, non-fullerene …

In Silico Designing of Thieno[2,3-b]thiophene Core-Based Highly Conjugated, Fused-Ring, Near-Infrared Sensitive Non-fullerene Acceptors for Organic Solar Cells

SS Alarfaji, F Rasool, B Iqbal, A Hussain, R Hussain… - ACS …, 2023 - ACS Publications
The performance of organic solar cells (OSCs) has been improving steadily over the last few
years, owing to the optimization of device fabrication, fine-tuning of morphology, and thin …

Effects of fluorination on exciton binding energy and charge transport of π-conjugated donor polymers and the ITIC molecular acceptor: a theoretical study

L Benatto, M Koehler - The Journal of Physical Chemistry C, 2019 - ACS Publications
The intelligent addition of fluorine atoms in the chemical structure of conjugated polymers
has been a popular approach to improve the efficiency of organic photovoltaic (OPV) …

Multifunctional photoresponsive organic molecule for electric field sensing and modulation

Y Zhang, J He, PJG Saris, HU Chae, S Das… - Journal of Materials …, 2022 - pubs.rsc.org
Nonlinear optical organic molecules have advanced a wide range of fields spanning from
integrated photonics to biological imaging. With advances in molecular design, an emerging …

Better performances of benzene‐based over thiophene‐based aromatic anionic donors: Computational studies on metameric conformational selectivity and …

S Sitha - Journal of Physical Organic Chemistry, 2024 - Wiley Online Library
Earlier experimental works report the synthesis of zwitterions with anionic p‐
dicyanomethanide (coupled to benzene and thiophene) donors. In this report, four such …

Exploring optically fueled dissipative self-assembly of a redox-active perylene diimide scaffold

O Chatterjee, A Pramanik, AL Koner - Organic Materials, 2022 - thieme-connect.com
Dissipative self-assembly is ubiquitous in nature and underlies many complex structures
and functions in natural systems. These processes are primarily enabled by the …

Theoretical insight on the nanocomposite of tetraphenylporphyrin-graphene oxide quantum dot as a sensitizer of DSSC

F Gao, CL Yang, MS Wang, XG Ma, YG Yi - Journal of Photochemistry and …, 2019 - Elsevier
Tetraphenylporphyrin (TPP) has been reported as the sensitizer of the dye-sensitized solar
cells (DSSC). However, the efficiency is unsatisfactory because of the unobvious visible light …

Effect of static external electric field on bulk and interfaces in organic solar cell systems: A density-functional-theory-based study

D Rana, A Materny - Spectrochimica Acta Part A: Molecular and …, 2021 - Elsevier
In this work, a detailed comparison of optical and electronic properties in bulk and interfaces
of well-known organic semiconductor systems in presence of an external electric field is …

Molecular engineering of anchoring groups for designing efficient triazatruxene-based organic dye-sensitized solar cells

NN Ghosh, M Habib, A Pramanik, P Sarkar… - New Journal of …, 2019 - pubs.rsc.org
Herein, we present a theoretical investigation of a series of metal-free organic dyes
containing triazatruxene to explore the effect of designed anchoring groups on their …