Research activities in the field of imidazole-derived push–pull systems featuring
intramolecular charge transfer (ICT) are reviewed. Design, synthetic pathways, linear and …

Carbon atoms have the potential to produce a variety of fascinating all-carbon structures
with amazing electronic and mechanical properties. Over the last few decades, several …

Nanostructured gas sensors find diverse applications in environmental and agricultural
monitoring. Herein, adsorption of phosgene (COCl2) on pure and copper-decorated …

DFT studies were performed to evaluate the chemotherapeutic potential of gC 3 N 4 as a
drug carrier for carboplatin in cancer treatment. The optimized, electronic and excited-state …

In this work, we designed series of indolo [3, 2, 1-jk] carbazole based donor-π-acceptor
organic dyes S1-S8 by modifying the π-bridge of experimentally synthesized dye IC-2 in …

Nonlinear optical (NLO) materials are the smartest materials of the era, and have the ability
to generate new electromagnetic fields with changed frequencies, phases, and other …

Silver cluster decorated graphene quantum dots act as efficient electrochemical sensors for
the detection of nitroaromatic compounds due to their unique electronic properties. Herein …

In the present investigation, quantum chemical calculations have been performed in a
systematic way to explore the optoelectronic, charge transfer, and nonlinear optical (NLO) …

Using first-principle methods, several key electronic, optical and nonlinear optical properties
are calculated for two recently synthesized chalcone derivatives ie (2E)-3-(4-methylphenyl) …

We report a novel type of organic–inorganic hybrid material with rare two-dimensional
nonlinear optical (NLO) properties. The density functional theory (DFT) calculations …