Tuning phosphorene and MoS₂ 2D materials for detecting volatile organic compounds associated with respiratory diseases

Efficient identification of volatile organic compounds (VOCs) is essential for the rapid diagnostication of respiratory diseases. By detecting specific biomarkers associated with different pathologies one may distinguish between tuberculosis, nosocomial pneumonia, Aspergillus fumigatus, influenza and SARS-CoV-2 virus infections. Phosphorene and MoS2 are potential candidates from the class of 2D graphene-like materials, which can be used as active layers for sensing elements. However, as the target molecules poorly adhere to the pristine layers, binding centers are created by introducing substitutional impurities. The adsorbed VOCs induce modifications in the electrical properties of the customized active layers. For each biomarker and a sequence of substitutional impurities, a pattern of conductivities is obtained, which enables the detection of an unknown test specimen. Exploring multiple biosensor configurations we find an optimal design yielding a considerable selectivity for the five biomarker compounds.