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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Autores principales: Saraireh Sherin A., Altarawneh Mohammednoor, Tarawneh Mouad A.
Formato: article
Lenguaje:EN
Publicado: De Gruyter 2021
Materias:
iron surfaces
chlorine
dft calculations
vdw-df functional
nanosystem
Technology
T
Chemical technology
TP1-1185
Physical and theoretical chemistry
QD450-801
Acceso en línea:https://doaj.org/article/681eda1096694210bf99b8f166b80f3c
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https://doaj.org/article/681eda1096694210bf99b8f166b80f3c

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