| Autor: |
Monserrath, Adriana, Sadoon Rasheed, Yousry, Kaur, Mandeep, Kaur, Harpreet, Salam Hussein, Ehab, Al-khamiseh, Bashar M., Elawady, Ahmed, Zainul, Rahadian, Qiang, Li |
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| Zdroj: |
Fullerenes, Nanotubes & Carbon Nanostructures; 2024, Vol. 32 Issue 9, p828-835, 8p |
| Abstrakt: |
A promising strategy for detecting lung cancer requires determining its biomarkers in a patient's exhaled breath. Acetone has been identified as an important biomarker in the cases of lung cancer. Two-dimensional materials show characteristics such as excellent sensitivity, resistance to high temperatures, and stability which are essential for their effective use in gas-sensing applications. In this work, we investigated acetone adsorption on the pristine and transition metal (TM)-doped (Fe, Co, Ni, Cu, and Zn) C3B monolayers with the density functional theory calculations. We found that the Zn-doped C3B shows a larger adsorption energy value among designed monolayers. The change of band gap energy of surfaces after acetone adsorption is obtained between 29% and 200%. Besides, results show that acetone has a quick recovery at room temperature. The work function variation of studied monolayers upon acetone adsorption has also been investigated and results show that TM-doped C3B systems are sensitive to acetone gas molecules. This work suggests that the C3B-based layers can be used as a biosensor to identify volatile organic compound biomarkers such as acetone. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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