English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Tools annual

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

The oxidation of {\alpha}-Ti(0001) surface was studied using densityfunctional theory. In order to enhance the oxidation resistance, we substitutedTi atoms with Si atoms in Ti(0001) surface. We observe that Si prefers tosegregate at the surface layer of Ti(0001) compared to other sub-surfacelayers. The Si solubility on the Ti(0001) surface was estimated to be around 75at.%. While Si segregation was found to reduce the binding between the oxygenatom and the Ti(0001) surface, the barrier for oxygen to diffuse into the slabincreases. The dissociation of the oxygen molecule on the clean and Sisegregated surfaces of Ti was found to be barrier-less. Overall, the Sisegregation on the Ti(0001) surface was found to hinder the dissolution ofoxygen in Ti.

First principles study of oxidation of Si segregated {\alpha}-Ti(0001) surfaces