Conducting polymers (CPs) have been proved to be instrumental in enhancing
photocatalytic efficacy owing to their unique physicochemical properties and energy levels …

The present short review discusses the computational studies carried out on polyacetylene
(PAc), polyaniline (PANI), polypyrrole (PPy), and other conducting polymers for predicting …

Density functional theory studies (DFT) have been carried out to evaluate the ability of
polyaniline emeraldine salt (PANI ES) from 2 to 8 phenyl rings as sensor for NH3, CO2, and …

Sensitivity and selectivity of polypyrrole (PPy) toward NH3, CO2, and CO have been studied
at density functional theory (DFT). PPy oligomers are used both in the doped (PPy+) and …

Density Functional Theory (DFT) and TD-DFT calculation have been performed to
investigate the response mechanism of polypyrrole towards ammonia as sensor. Geometric …

Creating a sensitive and selective method that can provide simple, practical and high-
throughput determination of levels of Hg2+ ions in water has proved extremely challenging …

Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations have been
performed to gain insight into the structure of poly (o-phenylenediamine)(POPD). Both …

We present a systematic review of nanostructured organic materials, including synthesis
methods, functionalization, and applications. First, we report the chemical and physical …

In this study where the FTIR, Raman, 1 H NMR and 13 C NMR spectra of poly (N-
vinylimidazole) which can be abbreviated as poly (NVIM) are first reported, a comparison of …

The polaronic and bipolaronic forms of polyaniline emeraldine salt (PAni-ES) in the
amorphous solid state have been simulated using classical molecular dynamics (MD) and …