Nanosystem’s density functional theory study of the chlorine adsorption on the Fe(100) surface

Nanosystem’s density functional theory study of the chlorine adsorption on the Fe(100) surface

This contribution investigates chlorine (Cl) interaction with the Fe(100) surface, with a focus on governing adsorption energies and geometrical features at the nanoscale using the density functional theory (DFT) approach. The Cl/Fe(100) system can be considered as a building block to create nanosys...

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Bibliografiska uppgifter
Huvudupphovsmän: Saraireh Sherin A., Altarawneh Mohammednoor, Tarawneh Mouad A.
Materialtyp: Artikel
Språk:English
Publicerad: De Gruyter 2021-07-01
Serie:Nanotechnology Reviews
Ämnen:
iron surfaces
chlorine
dft calculations
vdw-df functional
nanosystem
Länkar:https://doi.org/10.1515/ntrev-2021-0051

Internet

https://doi.org/10.1515/ntrev-2021-0051

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