Study of the adsorption effects of butanone, propanal, and pyridine biomarkers on the electronic properties of graphene armchair nanoribbons for the early detection of Gastric Cancer

Azizi Moshirabad, Fatemeh; Faizabadi, Edris

doi:10.22055/jrmbs.2026.20898

Study of the adsorption effects of butanone, propanal, and pyridine biomarkers on the electronic properties of graphene armchair nanoribbons for the early detection of Gastric Cancer

Document Type : Full length research Paper

Authors

Fatemeh Azizi Moshirabad

Edris Faizabadi

School of Physics, Iran University of Science and Technology, Tehran, Iran

10.22055/jrmbs.2026.20898

Abstract

In this study, the adsorption properties and electronic response of armchair graphene nanoribbons, as a sensing substrate for detecting three volatile organic compounds 2-butanone (C₄H₈O), pyridine (C₅H₅N), and propanal (C₃H₆O) as key biomarkers of gastric cancer, were investigated using density functional theory while taking van der Waals interactions into account. The results show that armchair graphene nanoribbons adsorb these volatile organic compounds weakly, with adsorption energies in the range of −0.3 to −0.5 eV, indicating a physisorption process without the formation of direct chemical bonds. In addition, the density-of-states analysis shows that the adsorption of each molecule leads to the appearance of distinct peaks in the density-of-states plot of the armchair graphene nanoribbon. Therefore, the armchair graphene nanoribbon can be considered a potential substrate for gas sensing of gastric-cancer-related biomarkers in non-invasive diagnostic methods.

Keywords

Graphene

Volatile Organic Compounds

Gastric Cancer

Density Functional Theory

Gas Sensor

Subjects

Condensed matter

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