Abstract
We have used ab initio density functional theory to study the coadsorption of N and O on Pt(100) and Pt(111) surfaces. Our calculations show that on Pt(100) the most favourable site is the hollow site for N and the bridge site for O, while for Pt(111) there are different possible N and O coadsorption geometries. On both surfaces the interaction between N and O is repulsive in nature.
Joshua, O (2021). AB Initio Density Study Of N And O Coadsorption On Pt(100) And Pt(111). Afribary. Retrieved from https://afribary.com/works/ab-initio-density-study-of-n-and-o-coadsorption-on-pt-100-and-pt-111
Joshua, Obodo "AB Initio Density Study Of N And O Coadsorption On Pt(100) And Pt(111)" Afribary. Afribary, 15 Apr. 2021, https://afribary.com/works/ab-initio-density-study-of-n-and-o-coadsorption-on-pt-100-and-pt-111. Accessed 15 May. 2024.
Joshua, Obodo . "AB Initio Density Study Of N And O Coadsorption On Pt(100) And Pt(111)". Afribary, Afribary, 15 Apr. 2021. Web. 15 May. 2024. < https://afribary.com/works/ab-initio-density-study-of-n-and-o-coadsorption-on-pt-100-and-pt-111 >.
Joshua, Obodo . "AB Initio Density Study Of N And O Coadsorption On Pt(100) And Pt(111)" Afribary (2021). Accessed May 15, 2024. https://afribary.com/works/ab-initio-density-study-of-n-and-o-coadsorption-on-pt-100-and-pt-111