First-Principles Study of the Effect of Titanium Doping on Carbon Monoxide Poisoning Properties of Zirconium-Cobalt Alloys

First-Principles Study of the Effect of Titanium Doping on Carbon Monoxide Poisoning Properties of Zirconium-Cobalt Alloys

It is very important to study impurity gas poisoning in ZrCo alloy because it is associated directly with the performance of ZrCo alloy as a hydrogen storage material. In this work, the effects of atomic replacement on the mechanism and properties of CO impurity gas poisoning in doped (Ti) ZrCo hydr...

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Bibliographic Details
Main Authors: Shixiang Zhao, Xiangguo Zeng, Yuntian Wang, Bosang Luo, Fang Wang
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Crystals
Subjects:
ZrCo alloy
elemental doping
CO poisoning
first principles
Online Access:https://www.mdpi.com/2073-4352/12/8/1015

Internet

https://www.mdpi.com/2073-4352/12/8/1015

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