Abstract
Hydroxyapatite (HA) is a phosphate mineral with the chemical formula of Ca10(PO4)6(OH)2. The presence of pores in HA allows easy interaction with other compounds, so it can be used to detect the CO gas. Other than that, the hydroxyl group in hydroxyapatite allows the ion exchange process, a significant reaction in a gas sensor. The interaction of hydroxyapatite with CO gas has been studied using density functional theory. The HA adsorption potential energy surface was investigated using slab model with (001) expansion and 10 Å vacuum. CO gas kept fixed 1.0 Å above the HA surface and traced along the surface with grid 10×10. The result shows that the surface is divided into two main potentials that more likely and unlikely for CO to stay. The CO gas is most likely to stay between two oxygen from (PO3) tetrahedral that pointing down.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
