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Dissociation mechanism of H<sub>2</sub> molecule on the Li<sub>2</sub>O/hydrogenated-Li<sub>2</sub>O (111) surface from first principles calculations

Xianggang KongChengdu 610065You YuChengdu 610225Shenggui MaChengdu 610065Tao GaoChengdu 610065Chengjian XiaoChina Academy of Engineering PhysicsXiaojun ChenChina Academy of Engineering Physics
RSC Advancesjournal2017en
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Hydrogen molecules in a purge gas are known to enhance the release of tritium from lithium ceramic materials, which has been demonstrated in numerous in-pile experiments.

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