Tao Hai, Abdulrahman T. Ahmed, Tariq J. Al-Musawi, Nitin Kumar, Yasser Elmasry, Ayadh Al-khalidi, Laith Yassen Qassem, Salah Hassan Zain Al-Abdeen, Rahadian Zainul
A first-principles DFT investigation was conducted to study the sensing of formaldehyde (CH2O) via pure biphenylene monolayer (PBPML) and gold-decorated biphenylene monolayer (Au-BPML) monolayer. The PBPML exhibited superior adhesion of CH2O molecule in comparison with other reported 2D materials, but it physiosorbed onto the PBPML with the adhesion energy of −0.409 eV. However, decorating the Au atom significantly improved the CH2O adhesion capacity of BP and caused a notable change in its electronic attributes. The Au-BPML can be a suitable sensor for CH2O with structural steadiness at ambient temperature, a reasonable charge transfer of 0.947 e, adhesion energy of −0.836 eV, and the recovery time of 1.03 s at 300 K. This study highlights the suitability of Au-BPML for CH2O sensing and its practical application. It also presents a new approach for the design and development of efficient sensors for biomolecule. © 2024 Elsevier B.V.
School of Electronics and Information Engineering, Ankang University, China; School of Computer and Information, Qiannan Normal University for Nationalities, Guizhou, Duyun, 558000, China; Artificial Intelligence Research Center (AIRC), Ajman University, Ajman, P.O.Box:346, United Arab Emirates; Department of Nursing, Al-Maarif University College, AL-Anbar Governorate, Ramadi, Iraq; Building and Construction Techniques Engineering Department, College of Engineering and Engineering Techniques, Al-Mustaqbal University, Babylon, 51001, Iraq; Department of Physics, School of Sciences, Jain (Deemed-to-be) University, Karnataka, Bengaluru, 560069, India; Department of Sciences, Vivekananda Global University, Rajasthan, Jaipur, 303012, India; Central Labs, King Khalid University, Abha, AlQura'a, P.O. Box 960, Saudi Arabia; Department of Mathematics, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, 61466, Saudi Arabia; Al-Hadi University College, Baghdad, 10011, Iraq; Department of Medical Laboratory Technics, Al-Noor University College, Nineveh, Iraq; Department of Medical Laboratories Technology, Al-Nisour University College, Baghdad, Iraq; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia; Center for Advanced Material Processing, Artificial Intelligence, and Biophysics Informatics (CAMPBIOTICS), 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
