Jump to main content
Jump to site search

Issue 10, 2019
Previous Article Next Article

Tritium trapping and migration mechanisms in Li2O: a first-principles study

Author affiliations

Abstract

The tritium recovery behaviors and related mechanisms in lithium-based breeding materials are the major concerns in fusion reactors. In the present work, the energetics of intrinsic point defects and H-related defects in Li2O has been investigated by the first-principles method. The results show that the formation energies, charge states and relative stability of the intrinsic point defects and H-related defects in Li2O under working conditions vary with the energy level. Based on the defect properties and migration process, a model of the tritium trapping and migration mechanisms in Li2O is proposed: (1) the bred tritium is first trapped by oxygen vacancies; (2) subsequently the tritium detrapped from oxygen vacancies is retrapped by lithium vacancies, forming T substituents; and (3) the T substituents hop along the Li lattice.

Graphical abstract: Tritium trapping and migration mechanisms in Li2O: a first-principles study

Back to tab navigation

Article information


Submitted
21 Nov 2018
Accepted
12 Feb 2019
First published
13 Feb 2019

Phys. Chem. Chem. Phys., 2019,21, 5474-5480
Article type
Paper

Tritium trapping and migration mechanisms in Li2O: a first-principles study

X. Xiang, G. Zhang, F. Yang and T. Tang, Phys. Chem. Chem. Phys., 2019, 21, 5474 DOI: 10.1039/C8CP07187J

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.


Social activity

Search articles by author

Spotlight

Advertisements