Such a negative trend for pristine monolayer TiS 3 has experimental confirmation in the work of Barawi et al. 79 For other cases considered by us (Li/Na/vac–TiS 3 ) the situation is similar.
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Exfoliation, point defects and hydrogen storage properties of monolayer TiS<sub>3</sub>: an <i>ab initio</i> study.
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