Investigation of the potential of Apigenin and Kaempferol for toxic gas sensing: A theoretical perspective

Investigation of the potential of Apigenin and Kaempferol for toxic gas sensing: A theoretical perspective

Here, we investigate the chemical as well as the structural attributes of Apigenin and Kaempferol as viable gas sensors with high sensitiveness via density functional theory (DFT). The adhesion behavior of typical gas molecules was examined on Apigenin and Kaempferol by performing DFT calculations....

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Bibliographic Details
Main Authors: Abdelmajeed Adam Lagum, Rashid Abdul Kareem Rashid, Suhair Mohammad Husein Kamona, Abrar Ryadh, Kadhum Al-Majdi, Nada Qasim Mohammed, Bahira Abdulrazzaq Mohammed, Hussein Abdullah Abbas, Shelesh Krishna Saraswat
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Chemical Physics Impact
Subjects:
Apigenin
Kaempferol
Density functional theory
Physisorption
Toxicity gasses
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423001512

Internet

http://www.sciencedirect.com/science/article/pii/S2667022423001512

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