Structural parameter-modulated nonlinear optical amplitude of acceptor–π–D–π–donor-configured pyrene derivatives: A DFT approach
In the present study, organic pyrene-based derivatives were selected for NLO investigation.
The reference compound named methyl (E)-2-cyano-3-(5-(pyren-1-yl) thiophen-2-yl)-3 …
The reference compound named methyl (E)-2-cyano-3-(5-(pyren-1-yl) thiophen-2-yl)-3 …
[HTML][HTML] NLO potential exploration for D–π–A heterocyclic organic compounds by incorporation of various π-linkers and acceptor units
Heterocyclic compounds with excellent nonlinear optical (NLO) properties are highly
significant and have many potentials uses in various fields such as nuclear science …
significant and have many potentials uses in various fields such as nuclear science …
Quantum chemical approach of donor− π–acceptor based arylborane–arylamine macrocycles with outstanding photovoltaic properties toward high-performance …
A theoretical quantum chemical investigation of D− π–A conjugated molecules based on
arylborane–arylamine is proposed with the motive of suggesting new organic materials for …
arylborane–arylamine is proposed with the motive of suggesting new organic materials for …
First principles study of electronic and nonlinear optical properties of A–D–π–A and D–A–D–π–A configured compounds containing novel quinoline–carbazole …
Materials with nonlinear optical (NLO) properties have significant applications in different
fields, including nuclear science, biophysics, medicine, chemical dynamics, solid physics …
fields, including nuclear science, biophysics, medicine, chemical dynamics, solid physics …
First theoretical framework of triphenylamine–dicyanovinylene-based nonlinear optical dyes: structural modification of π-linkers
This work was inspired by a previous report [Janjua, MRSA Inorg. Chem. 2012, 51, 11306−
11314] in which the nonlinear optical (NLO) response strikingly improved with double …
11314] in which the nonlinear optical (NLO) response strikingly improved with double …
First theoretical probe for efficient enhancement of nonlinear optical properties of quinacridone based compounds through various modifications
In this study, first attempt has been made for theoretical designing of quinacridone (QA) dye
and new QA-based compounds (QA-1 to QA-9) were proposed by installing auxiliary donors …
and new QA-based compounds (QA-1 to QA-9) were proposed by installing auxiliary donors …
Structural modulation of π-conjugated linkers in D–π–A dyes based on triphenylamine dicyanovinylene framework to explore the NLO properties
A donor–π–acceptor type series of Triphenylamine–dicyanovinylene-based chromophores
(DPMN1–DPMN11) was designed theoretically by the structural tailoring of π-linkers of …
(DPMN1–DPMN11) was designed theoretically by the structural tailoring of π-linkers of …
Prediction of second-order nonlinear optical properties of D–π–A compounds containing novel fluorene derivatives: A promising route to giant hyperpolarizabilities
Herein, first attempt has been made to utilize fluorene-based dye-sensitized solar cell
(DSSCs) dye JK-201 as potential nonlinear optical (NLO) material and for the theoretical …
(DSSCs) dye JK-201 as potential nonlinear optical (NLO) material and for the theoretical …
Silver cluster doped graphyne (GY) with outstanding non-linear optical properties
This research study addresses the computational simulations of optical and nonlinear
optical (NLO) characteristics of silver (Ag) cluster doped graphyne (GY) complexes. By …
optical (NLO) characteristics of silver (Ag) cluster doped graphyne (GY) complexes. By …
Quantum chemical design and prediction that complements understanding: How do the transition metals enhance the CO2 sensing ability of inorganic Mg12O12 …
MRSA Janjua - Journal of Physics and Chemistry of Solids, 2022 - Elsevier
Nanoscale magnesium oxide (Mg 12 O 12) clusters have enormous applications like toxic
gases sensing and removal, high temperature semiconductors, and as drug delivery …
gases sensing and removal, high temperature semiconductors, and as drug delivery …