Yathrib Ajaj, Saade Abdalkareem Jasim, Ehab Salam Hussein, Yasir W. Issa, Carlos Alberto Alban Hurtado, Yazen.M. Alawaideh, Mohammed Al-Bahrani, Hamad Almujibah, Rahadian Zainul
Volatile organic compounds (VOCs) cause a considerable risk to human life, and it is vital to introduce highly efficient VOC biosensors. Methanol (CH3OH) was identified as a vital biomarker, showing significant elevation in both lung cancer and COVID-19 patients. Two-dimensional (2D) semiconductor gas sensors offer benefits such as excellent sensitivity, resistance to high temperatures and stability. In the present study, we explored methanol adsorption on the pristine and transition metal (TM)-doped (Sc, Ti, V, Cr, and Mn) C3B 2D flakes with the density functional theory (DFT) technique. Our results revealed that the V-, Cr-, and Mn-doped C3B show larger adsorption energy values as compared to the pristine C3B surface. The change of band gap energy of surfaces after methanol adsorption is obtained between 40 and 400 %. Besides, results show that methanol has a quick recovery at room temperature. The work function variation of studied flakes upon methanol adsorption has been also investigated and results show that V-, Cr-, and Mn-doped C3B systems are sensitive to methanol gas molecule. This work suggests that the C3B-based flakes can be used as a biosensor to identify VOC biomarkers such as methanol. © 2024
Engineering Department, College of Engineering and Computer Science, German University of Technology in Oman, Oman; Medical Laboratory Techniques Department, Al-Maarif University College, Anbar, Iraq; Department of Pharmacy, Al-Amarah University College, Maysan, Iraq; Department of Anesthesia Techniques, Madenat Alelem University College, Baghdad, Iraq; Universidad Nacional de Chimborazo. Riobamba, Chimborazo, 060501, Ecuador; MEU Research Unit, Middle East University, Amman, Jordan, Jordan; Chemical Engineering and Petroleum Industries Department, Al-Mustaqbal University, Babylon, 51001, Iraq; Department of Civil Engineering, College of Engineering, Taif University, P.O. Box 11099, Taif City, 21974, Saudi Arabia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia; Center for Energy and Power Electronics Research (CEPER), Universitas Negeri Padang, West Sumatera, Padang, Indonesia; Research Fellow, INTI International University, Negeri Sembilan, Nilai, 71800, Malaysia; Center for Advanced Material Processing, Artificial Intelligence, and Biophysics Informatics (CAMPBIOTICS), Universitas Negeri Padang, Padang, Indonesia
