Статья

RETRACTED ARTICLE: Ir-decorated gallium nitride nanotubes as a chemical sensor for recognition of mesalamine drug: a DFT study

Dmitry Olegovich BokovInstitute of Pharmacy, Sechenov First Moscow State Medical University, Moscow, Russian FederationAbduladheem Turki JalilCollege of Technical Engineering, The Islamic University, Najaf, IraqForat H. AlsultanyMustafa Z. MahmoudDepartment of Radiology and Medical Imaging, College of Applied Medical Sciences, Prince Sattam bin Abdulaziz University, Al-Kharj, Saudi ArabiaWanich SuksatanFaculty of Nursing, HRH Princess Chulabhorn College of Medical Science, Chulabhorn Royal Academy, Bangkok, ThailandSupat ChupraditFaculty of Associated Medical Sciences, Department of Occupational Therapy, Chiang Mai University, Chiang Mai, ThailandMaytham T. QasimDepartment of Anesthesia, College of Health and Medical Technololgy, Al-Ayen University, Thi-Qar, IraqParvaneh Delir Kheirollahi NezhadDepartment of Chemistry, Payam Noor University, Tehran, Iran

2022en

ABI

Аннотация

We employed density functional theory to inspect the impact of Ir-decoration on the sensing performance of a GaN nanotube (GaNNT) in the detection of mesalamine (MA). The interaction of the pristine GaNNT with MA was found to be weak, and the sensing response was approximately 4.3. Decorating an Ir atom into the GaNNT surface increased the adsorption energy (Ead) of MA from −6.7 to −23.8 kcal/mol. The sensing response significantly increased to 89.4 after decorating the Ir atom. A short recovery time of 22.0 s was found for the desorption of MA from the surface of the Ir-decorated GaNNT at 298 K. The water solvent reduced Ead of MA to −19.8 kcal/mol. Thus, we concluded that the Ir-decorated GaNNT might be a highly sensitive MA sensor with a short recovery time.

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Идентификаторы

DOI: 10.1080/08927022.2021.2025234

Цитирования и источники

Цитирований: 2Использованных источников: 0

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