A First-Principles Study of Hydrogen Desorption from High Entropy Alloy TiZrVMoNb Hydride Surface
The desorption behaviors of hydrogen from high entropy alloy TiZrVMoNb hydride surface have been investigated using the density functional theory. The (110) surface has been determined to be the most preferable surface for hydrogen desorption from TiZrVMoNb hydride. Due to the high lattice distortio...
Main Authors: | Jinjing Zhang, Jutao Hu, Haiyan Xiao, Huahai Shen, Lei Xie, Guangai Sun, Xiaotao Zu |
---|---|
Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-03-01
|
Series: | Metals |
Subjects: | |
Online Access: | https://www.mdpi.com/2075-4701/11/4/553 |
Similar Items
-
First-Principles Design of Refractory High Entropy Alloy VMoNbTaW
by: Shumin Zheng, et al.
Published: (2018-12-01) -
A DFT Study of Hydrogen Storage in High-Entropy Alloy TiZrHfScMo
by: Jutao Hu, et al.
Published: (2019-03-01) -
A Novel TiZrHfMoNb High-Entropy Alloy for Solar Thermal Energy Storage
by: Huahai Shen, et al.
Published: (2019-02-01) -
How 10 at% Al Addition in the Ti-V-Zr-Nb High-Entropy Alloy Changes Hydrogen Sorption Properties
by: Jorge Montero, et al.
Published: (2021-04-01) -
Design and development of Ti–Zr–Hf–Nb–Ta–Mo high-entropy alloys for metallic biomaterials
by: Yuuka Iijima, et al.
Published: (2021-04-01)