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

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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

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Publication details

The article was received on 21 Nov 2018, accepted on 12 Feb 2019 and first published on 13 Feb 2019


Article type: Paper
DOI: 10.1039/C8CP07187J
Citation: Phys. Chem. Chem. Phys., 2019, Advance Article

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    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, Advance Article , DOI: 10.1039/C8CP07187J

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