Designing Highly Selective NO2 and SO3 Sensors via Doped and Substituted Polythiophene: A DFT, NEGF, and Microkinetic Study

Liang‐Ting Wu; Jyh‐Chiang Jiang

doi:10.1039/d5ta04096e

January 1, 2025Journal of Materials Chemistry A

Designing Highly Selective NO2 and SO3 Sensors via Doped and Substituted Polythiophene: A DFT, NEGF, and Microkinetic Study

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Key Points

Highly selective sensors detect NO2 and SO3, enhancing air quality monitoring.
Sensing efficiency improves with doped and substituted polythiophene, offering sustainable industrial solutions.
Analysis employs DFT, NEGF, and microkinetic methods to design advanced gas sensors.
Decreased toxic emissions support environmental protection, promoting cleaner industrial practices.

Implication

Microkinetic analysis reveals highly selective sensors for NO2 and SO3, indicating advances in gas sensing technology.

Abstract

Sensing and purifying toxic gases, particularly NOx and SOx from flue gases, is essential for sustainable industrial development. Developing highly efficient gas sensors based on conducting polymers (CPs) is promising...

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Cite This Study

Wu et al. (2025) studied this question.

synapsesocial.com/papers/68af59d2ad7bf08b1eade037 https://doi.org/10.1039/d5ta04096e

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Designing Highly Selective NO2 and SO3 Sensors via Doped and Substituted Polythiophene: A DFT, NEGF, and Microkinetic Study

Key Points

Implication

Abstract

Discussion

Cite This Study

Designing Highly Selective NO2 and SO3 Sensors via Doped and Substituted Polythiophene: A DFT, NEGF, and Microkinetic Study

Key Points

Implication

Abstract

Discussion

Cite This Study

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