Stabilizing sulfur vacancy defects by performing “click” chemistry of ultrafine palladium to trigger a high-efficiency hydrogen evolution of MoS2

Defect engineering is widely applied in transition metal dichalcogenides to produce high-purity hydrogen. However, the instability of vacancy states on catalysis still remains a considerable challenge. Here, our first-principles calculations showed that, by optimizing the asymmetric S vacancy in the...

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