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Fluorine-Modulated Electronic Structure and Atomic Bonding of the Titanium Surface

The fluorine-adsorption-induced local bond relaxation and valence-energy-state evolution of the Ti(0001) surface were examined through density functional theory calculations. The predicted bond–band–barrier (3 B) correlation notation framework for the interaction of the fluorine adsorbate with Ti at...

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Detalles Bibliográficos
Autores principales: Li, Lei, Huang, Haihua
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9737132/
https://www.ncbi.nlm.nih.gov/pubmed/36499988
http://dx.doi.org/10.3390/ma15238492