Investigating the impact of end-capped acceptor alterations to dimethyl fluorene-based hole transporting material for perovskite solar cells
R Sharafat, A Basharat, U Salma, J Iqbal… - Journal of Physics and …, 2024 - Elsevier
Hole-transporting materials (HTMs) could boost the proficiency of third generation-
perovskite solar cells since they have ultrafast charge mobility that improves optoelectronic …
perovskite solar cells since they have ultrafast charge mobility that improves optoelectronic …
Exploration of nonlinear optical enhancement in acceptor–π–donor indacenodithiophene based derivatives via structural variations: a DFT approach
Herein, a series of indacenodithiophene-based derivatives (TNPD1–TNPD6) were designed
having D–π–A architecture via end capped acceptor modulation of a reference molecule …
having D–π–A architecture via end capped acceptor modulation of a reference molecule …
Quantum Chemical Exploration of A−π1–D1–π2–D2-Type Compounds for the Exploration of Chemical Reactivity, Optoelectronic, and Third-order Nonlinear …
Organic compounds exhibit significant nonlinear optical (NLO) properties and can be
utilized in various areas like optical parameters, fiber optics, and optical communication …
utilized in various areas like optical parameters, fiber optics, and optical communication …
Synthesis, Characterizations, Hirshfeld Surface Analysis, DFT, and NLO Study of a Schiff Base Derived from Trifluoromethyl Amine
We synthesized an imine-based (Schiff base) crystalline organic chromophore, ie,(E)-2-
ethoxy-6-(((3-(trifluoromethyl) phenyl) imino) methyl) phenol (ETPMP), and explored its …
ethoxy-6-(((3-(trifluoromethyl) phenyl) imino) methyl) phenol (ETPMP), and explored its …
Multicomponent synthesis of pyrido [2, 3-b] pyrazine derivatives: electrochemical DNA sensing, nonlinear optical properties and biological activity
M Rashid, M Khalid, A Ashraf, T Saleem, I Shafiq… - RSC …, 2023 - pubs.rsc.org
We synthesized novel pyrido [2, 3-b] pyrazin based heterocyclic compounds (4–7) and their
chemical structures were ascertained by spectral techniques (NMR, FT-IR). Besides …
chemical structures were ascertained by spectral techniques (NMR, FT-IR). Besides …
Investigation on the effect of complex formation on prominent high static/dynamic first and second hyperpolarizability of Co (II) complex including 4-chloro-Pyridine-2 …
Nonlinear optical (NLO) materials with promising first-and second-order hyperpolarizabilities
play a crucial role in the fields of electronics and optoelectronics. For the metal-organic …
play a crucial role in the fields of electronics and optoelectronics. For the metal-organic …
Theoretical Perspective toward Designing of 5-Methylbenzo [1,2-b:3,4-b′:6,5-b″] trithiophene-Based Nonlinear Optical Compounds with Extended Acceptors
A series of benzotrithiophene-based compounds (DCTM1-DCTM6) having D1-π1-D2-π2-A
configuration were designed using a reference molecule (DCTMR) via incorporating pyrrole …
configuration were designed using a reference molecule (DCTMR) via incorporating pyrrole …
DFT and molecular dynamics study of the optical and electronic properties of nitrobenzofurazan-based molecules for photovoltaic and nonlinear optical applications
This study explores the properties of small organic conjugated molecules based on
nitrobenzofurazan (NBD), incorporating a donor-acceptor (DA) system, using Density …
nitrobenzofurazan (NBD), incorporating a donor-acceptor (DA) system, using Density …
Unveiling the NLO Potential of New Zn (II) Complex of 6‐Methylpyridine‐2‐Carboxaldehyde: Experimental/DFT Study on Spectral, Static, and Frequency‐Dependent …
Ongoing exploration focuses on synthesizing and characterizing coordination compounds to
improve the design of nonlinear optical (NLO)‐based materials. In this regard, to examine …
improve the design of nonlinear optical (NLO)‐based materials. In this regard, to examine …
Exploration of key electronic and optical nonlinearity properties of synthesized salicylaldehyde based compounds via quantum chemical approach
Thiosemicarbazones are considered as emerging scaffolds for various research domains
due to their diverse applications. Herein, novel thiosemicarbazone based compounds 1–5 …
due to their diverse applications. Herein, novel thiosemicarbazone based compounds 1–5 …