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February 28, 2026Physical Chemistry Chemical Physics2 citations

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

DRDavendra RamkumarKRK. A. Jeeva Vergin RajCKC. Preferencial Kala

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

Abstract

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

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Cite This Study

Ramkumar et al. (2026) studied this question.

synapsesocial.com/papers/69a288060a974eb0d3c03ea1https://doi.org/10.1039/d5cp05052a
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Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Atomically engineered black phosphorene nanosheets for selective detection of ovarian cancer VOC biomarkers2026
  2. 2Combinatorial nanomaterials platform for chemical fingerprinting of cancer-associated volatile organic compounds via surface-enhanced Raman scattering2024
  3. 3Can it be detected? A computational protocol for evaluating MOF-metal oxide chemiresistive sensors for early disease detection2024
  4. 4Transition Metal Doped WTe2 Monolayers for Lung Cancer VOC Detection: Adsorption, Electronic Response, and Sensing Performance2026
  5. 5Harnessing volatile organic compound biomarkers for early cancer detection: molecular to nanotechnology-based approaches.2025 · 9 citations