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Outstanding Performance of Transition-Metal-Decorated Single-Layer Graphene-like BC6N Nanosheets for Disease Biomarker Detection in Human Breath

Year: 2021
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide In the present work, we report highly sensitive and selective nanosensors constructed with metal-decorated graphene-like BC 6 N employing nonequilibrium Green’s function (NEGF) formalism combined by density functional theory (DFT) toward multiple inorganic and sulfur-containing gas molecules (NO, NO 2, NH 3, CO, CO 2, H 2 S, and SO 2 ) as disease biomarkers from human breath. Monolayer sheets of pristine BC 6 N and Pd-decorated BC 6 N were evaluated for their gas adsorption properties, electronic property changes, sensitivity, and selectivity toward disease biomarkers. The pristine BC 6 N nanosheets exhibited sharp drops in the bandgap when interacted with gases such as NO 2 while barely affected by other gases. However, the nanosecond recovery time and low adsorption energies limit the gas sensing applications of the pristine BC 6 N sheet. On the other hand, the Pd-decorated BC 6 N-based sensor underwent a semiconductor to metal transition upon the adsorption of NO x gas molecules. The conductance change of the sensor’s material in terms of I – V characteristics revealed that the Pd-decorated BC 6 N sensor is highly sensitive (98.6–134%) and selective (12.3–74.4 times) toward NO x gas molecules with a recovery time of 270 s under UV radiation at 498 K while weakly interacting with interfering gases in exhaled breath such as CO 2 and H 2 O. The gas adsorption behavior suggests that metal-decorated BC 6 N sensors are excellent candidates for analyzing pulmonary disease and cardiovascular biomarkers, among other ailments of the stomach, kidney, and intestine.
Source: ACS Omega
DOI: 10.1021/acsomega.0c05495
Language: English
Open Access status: gold
Estimated APC paid: $1,250
OpenAlex ID: W3128090952
FWCI: 6.019
Cites: 50
Cited by: 127
Related to: 10