Ahmed Mahal, Abdulrahman T. Ahmed, Subhash Chandra, Maan Muwaffaq Nayef, Hasan Khalid Dabis, Ahmad J. Obaidullah, Saeb Jasim Al-Shuwaili, Ahmed Muzahem Al-Ani, Rahadian Zainul
An effective approach for early diagnosis of lung cancer involves detecting its biomarkers in the patient’s exhaled breath. Acetone was identified as a vital biomarker, showing significant elevation in lung cancer. Two-dimensional boron carbide materials offer benefits such as resistance to high temperatures, stability, and excellent sensitivity toward toxic gas molecules. Here, we explore acetone adsorption on the pristine and transition metal (TM)-doped (Sc, Ti, V, Cr, and Mn) boron carbide monolayers (BCMs) with density functional theory calculations. Our results revealed that the V-, Cr-, and Mn-doped BCM show larger adsorption energy values as compared to the pristine BCM surface. The change of band gap energy of surfaces after acetone adsorption is obtained between 55 and 275%. The work function variation of studied monolayers upon acetone adsorption has been also investigated and results show that V-, Cr-, and Mn-doped BCM systems are sensitive to acetone gas molecules. This work suggests that BCM-based layers can be used as a biosensor to identify VOC biomarkers such as acetone. © 2024 Informa UK Limited, trading as Taylor & Francis Group.
Department of Medical Biochemical Analysis, College of Health Technology, Cihan University-Erbil, Kurdistan Region, Erbil, Iraq; Department of Nursing, Al-Maarif University College, AL-Anbar Governorate, Ramadi, Iraq; Department of Electrical Engineering, GLA University, Mathura, 281406, India; Department of Dentistry, Al-Noor University College, Nineveh, Iraq; Ahl Al Bayt University, Kerbala, Iraq; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P. O. Box 2457, Riyadh, Saudi Arabia; Department of Anesthesia Techniques, Al-Hadi University College, Baghdad, 10011, Iraq; Department of Medical Engineering, Al-Nisour University College, Baghdad, Iraq; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Sumatera Barat, Indonesia; Center for Advanced Material Processing, Artificial Intelligence, and Biophysics Informatics (CAMPBIOTICS), Universitas Negeri Padang, Padang, Indonesia; Research Fellow, INTI International University, Negeri Sembilan, Nilai, 71800, Malaysia; Professor Fellow, Superior University, Lahore, Pakistan
