Unraveling the adsorption and diffusion behavior of H and O atoms at Zr(0001) surface doped with a Nb/Sn atom: A first-principles study

Unraveling the adsorption and diffusion behavior of H and O atoms at Zr(0001) surface doped with a Nb/Sn atom: A first-principles study

With the formation of a surface oxide or hydride layer of the zirconium alloy, the ductility of the nuclear rod decreases obviously. Thus, it is significant to develop a deeply understanding of this process, which may assist in future corrosion and hydrogen embrittlement resistance design for the zi...

Full description

Saved in:
Bibliographic Details
Main Authors: Rongjian Pan, Aitao Tang, Jiantao Qin, Qingqing Wang, Lu Wu
Format: Article
Language:English
Published: Elsevier 2025-02-01
Series:Heliyon
Subjects:
Zirconium
Surface
Adsorption
Diffusion
First-principles calculations
Online Access:http://www.sciencedirect.com/science/article/pii/S240584402500756X
Tags: Add Tag
No Tags, Be the first to tag this record!

Similar Items

Similar Items