Density Functional Theory Study of Transition-Metal-Doped CdS Monolayers for Hazardous Gas Sensing.

Zengming Qin; Wang Yu; Ying Duan; You Li; Feng Wang; Jingxiang Zhao

doi:10.1021/acs.langmuir.6c00989

April 30, 2026

Density Functional Theory Study of Transition-Metal-Doped CdS Monolayers for Hazardous Gas Sensing.

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Key Points

The research aims to assess the effectiveness of transition-metal-doped CdS monolayers in gas sensing applications.
Utilized density functional theory to model CdS monolayers doped with transition metals.
Examined the electronic properties and gas adsorption capabilities of the modified monolayers.
Transition-metal doping significantly enhances gas sensitivity of CdS monolayers.
Identified optimal metal dopants for improving multigas detection performance.

Abstract

, making it a promising candidate for efficient multigas detection. This work provides a reliable theoretical foundation for the design of high-performance CdS-based gas sensors and promotes the advancement of gas-sensing technology in environmental monitoring and industrial safety applications.

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Cite This Study

Qin et al. (2026) studied this question.

synapsesocial.com/papers/69f5947e71405d493afff3b7 https://doi.org/10.1021/acs.langmuir.6c00989

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Density Functional Theory Study of Transition-Metal-Doped CdS Monolayers for Hazardous Gas Sensing.

Key Points

Abstract

Discussion

Cite This Study

Density Functional Theory Study of Transition-Metal-Doped CdS Monolayers for Hazardous Gas Sensing.

Key Points

Abstract

Discussion

Cite This Study

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