DFT insights into metal-functionalized black phosphorene as a potential volatile organic compound sensor for early cancer detection

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Key Points

The aim is to explore the potential of metal-functionalized black phosphorene as a sensor for detecting VOCs linked to cancer.
Utilized density functional theory (DFT) to analyze the interaction of VOCs with black phosphorene
Examined different metal functionalizations to enhance sensitivity
Assessed real-time detection capabilities through simulations
Metal-functionalized black phosphorene shows increased sensitivity to specific VOCs
Improvements in detection speed facilitate real-time monitoring
Potential for use in non-invasive cancer diagnostics through breath analysis

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Demonstrates real-time detection of VOCs for early cancer detection, highlighting its potential impact.

Selective and real-time detection of volatile organic compounds (VOCs) in human breath.

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Ramkumar et al. (2026) studied this question.

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