Issue 11, 2022

Theoretical studies of conducting polymers: a mini review

Abstract

The present short review discusses the computational studies carried out on polyacetylene (PAc), polyaniline (PANI), polypyrrole (PPy), and other conducting polymers for predicting their electronic, optoelectronic and structural properties. Studies from semi-empirical methods to density functional theory (DFT) have been elaborated. The latest studies pertaining to sensing application have also been highlighted which can benefit the researchers working in this area. The future prospects given in the conclusion section analyze the significance of theoretical parameters in predicting the properties of conducting polymers for designing electronic, electrochemical, as well as sensing devices.

Graphical abstract: Theoretical studies of conducting polymers: a mini review

Article information

Article type
Perspective
Submitted
10 ное 2021
Accepted
07 фев 2022
First published
07 фев 2022

New J. Chem., 2022,46, 4954-4973

Theoretical studies of conducting polymers: a mini review

U. Riaz, N. Singh and S. Banoo, New J. Chem., 2022, 46, 4954 DOI: 10.1039/D1NJ05352C

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